Geometry & MOs

Info

ID:	302729
PubChem CID:	124393769
Reduced:	ClSN2O4C17H19 (1)
Stoich.:	ABC2D4E17F19 (1)
Weight, g/mol:	481.167142
ΔH_f, kcal/mol:	-136.07
Dipole, Da:	4.87
IP(EA), eV:	-8.53(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-[(E)-[2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-5-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]-3-methylbenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)[C@H](C)NS(=O)(=O)C2=CC(=C(C=C2)OC)Cl

DOS

IR

Vibrations