Geometry & MOs

Info

ID:	234776
PubChem CID:	92303473
Reduced:	SN2O3C21H24 (1)
Stoich.:	AB2C3D21E24 (1)
Weight, g/mol:	418.135114
ΔH_f, kcal/mol:	-94.43
Dipole, Da:	5.93
IP(EA), eV:	-8.46(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-N-[3-[(2S)-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide

Drug info:

PubChemData

Smile

CCCC(=O)NC1=CC=CC(=C1)[C@@H]2N(C(=O)CS2)C3=CC=C(C=C3)OCC

DOS

IR

Vibrations