Geometry & MOs

Info

ID:	440884
PubChem CID:	135232013
Reduced:	SN2O6C24H38 (1)
Stoich.:	AB2C6D24E38 (1)
Weight, g/mol:	464.245727
ΔH_f, kcal/mol:	-290.71
Dipole, Da:	8.5
IP(EA), eV:	-8.73(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[carboxymethyl(methyl)amino]-(cyanoamino)methylidene]amino]-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropanoic acid

Drug info:

PubChemData

Smile

CC(=CCC/C(=C/CC/C(=C/CSCC(C(=O)O)NC(=O)CC(C(=O)O)NC(=O)C)/C)/C)C

DOS

IR

Vibrations