Geometry & MOs

Info

ID:	312264
PubChem CID:	126603956
Reduced:	NO4C13H25 (1)
Stoich.:	AB4C13D25 (1)
Weight, g/mol:	1412.5375
ΔH_f, kcal/mol:	-220.22
Dipole, Da:	4.07
IP(EA), eV:	-9.85(0.53)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[2-[(1E,3E,5E,7Z)-7-[3-(carboxymethyl)-4,5,6-triiodo-3-methyl-1-(sulfomethyl)indol-2-ylidene]hepta-1,3,5-trienyl]-4,5,6-triiodo-3-methyl-1-(sulfomethyl)indol-1-ium-3-yl]acetic acid

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)(C)C(=O)CCNC(=O)[C@@H](C(C)(C)CO)O

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)(C)C(=O)CCNC(=O)[C@@H](C(C)(C)CO)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):