Geometry & MOs

Info

ID:	170024
PubChem CID:	75184203
Reduced:	N2S2O4H22C29 (1)
Stoich.:	A2B2C4D22E29 (1)
Weight, g/mol:	477.081698
ΔH_f, kcal/mol:	-46.11
Dipole, Da:	8.85
IP(EA), eV:	-8.72(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-imidazol-5-yl)-2-[[2-(5-oxo-4-phenyl-3-sulfanylthiophen-2-ylidene)-2-phenylacetyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C(=C(C3=CC=CC=C3)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)O)SC2=O)S

DOS

IR

Vibrations