Geometry & MOs

Info

ID:	337382
PubChem CID:	127257067
Reduced:	BrSN2O2C13H15 (1)
Stoich.:	ABC2D2E13F15 (1)
Weight, g/mol:	459.047812
ΔH_f, kcal/mol:	-26.0
Dipole, Da:	3.74
IP(EA), eV:	-8.89(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5E)-5-(5-chloro-1,3-dimethylbenzimidazol-2-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

C1CSCN1CC(=O)OCC=NC2=CC=C(C=C2)Br

DOS

IR

Vibrations