Geometry & MOs

Info

ID:	313461
PubChem CID:	126614877
Reduced:	NC16H17 (1)
Stoich.:	AB16C17 (1)
Weight, g/mol:	452.059756
ΔH_f, kcal/mol:	62.18
Dipole, Da:	1.21
IP(EA), eV:	-8.04(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-[3-[(E)-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]benzoic acid

Drug info:

PubChemData

Smile

CC1C=C(N1C2=CC=C(C3=CC=CC=C32)C)C

DOS

IR

Vibrations