Geometry & MOs

Info

ID:	170022
PubChem CID:	75183839
Reduced:	PN2O10C24H41 (1)
Stoich.:	AB2C10D24E41 (1)
Weight, g/mol:	471.063272
ΔH_f, kcal/mol:	-551.21
Dipole, Da:	6.44
IP(EA), eV:	-9.95(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylsulfanyl-2-[[2-(5-oxo-4-phenyl-3-sulfanylthiophen-2-ylidene)-2-phenylacetyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC(COP(=O)(CC(CC1C(C(C(N1)CO)O)O)O)O)(C(=O)O)NC(=O)CC23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations