Geometry & MOs

Info

ID:	170023
PubChem CID:	75184202
Reduced:	NS3O4H21C23 (1)
Stoich.:	AB3C4D21E23 (1)
Weight, g/mol:	526.1021
ΔH_f, kcal/mol:	-89.71
Dipole, Da:	2.26
IP(EA), eV:	-8.91(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CSCCC(C(=O)O)NC(=O)C(=C1C(=C(C(=O)S1)C2=CC=CC=C2)S)C3=CC=CC=C3

DOS

IR

Vibrations