Geometry & MOs

Info

ID:	427718
PubChem CID:	135161671
Reduced:	F2C11H22 (1)
Stoich.:	A2B11C22 (1)
Weight, g/mol:	721.315877
ΔH_f, kcal/mol:	-155.18
Dipole, Da:	3.2
IP(EA), eV:	-10.88(3.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-[5-(carboxymethyl)-2-[(1E,3E,5E,7E)-7-[1-ethyl-3-(3-hydroxypropyl)-3-methyl-5-sulfoindol-2-ylidene]hepta-1,3,5-trienyl]-1-(3-hydroxypropyl)-3-methylindol-1-ium-3-yl]butanoic acid

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

C[C@H](CCC(C)C(C)CCCF)F

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

C[C@H](CCC(C)C(C)CCCF)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):