Geometry & MOs

Info

ID:	439517
PubChem CID:	135229292
Reduced:	SN2O3C22H46 (1)
Stoich.:	AB2C3D22E46 (1)
Weight, g/mol:	1810.717604
ΔH_f, kcal/mol:	-221.15
Dipole, Da:	3.7
IP(EA), eV:	-8.76(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[19-(2-butyloctanoyloxy)-10-[3-(dimethylamino)propyl-octanoylamino]nonadecyl] 5-butyl-7-[[9-[3-(dimethylamino)propyl-octanoylamino]-17-(2-hexyloctanoyloxy)heptadecoxy]-hydroxymethyl]-4-ethyl-2-hexyltridecanoate

Drug info:

PubChemData

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)(CCOC(C)(C)CC(=O)N(CC(C)(C)S)C(C)(C)CC(C)(C)N)OC

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)(CCOC(C)(C)CC(=O)N(CC(C)(C)S)C(C)(C)CC(C)(C)N)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):