Geometry & MOs

Info

ID:	446400
PubChem CID:	135274688
Reduced:	O6C23H48 (1)
Stoich.:	A6B23C48 (1)
Weight, g/mol:	2934.306187
ΔH_f, kcal/mol:	-336.85
Dipole, Da:	1.94
IP(EA), eV:	-9.4(1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,2-bis[3-[2-[bis[2-[6-(fluorooxycarbamoylamino)hexylcarbamoyloxy]ethyl]amino]acetyl]sulfanylpropanoyloxymethyl]-3-[3-[2-[bis[2-[6-(2-fluorooxyethylcarbamoylamino)hexylcarbamoyloxy]ethyl]amino]acetyl]sulfanylpropanoyloxy]propyl] 3-[2-[bis[2-[6-(2-fluorooxyethylcarbamoylamino)hexylcarbamoyloxy]ethyl]amino]acetyl]sulfanylpropanoate

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)OCC(COCC(C)(C)COCC(COC(C)C)OC(C)C)OC(C)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)OCC(COCC(C)(C)COCC(COC(C)C)OC(C)C)OC(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):