Geometry & MOs

Info

ID:	234978
PubChem CID:	92303816
Reduced:	ClFSN2O2H18C19 (1)
Stoich.:	ABCD2E2F18G19 (1)
Weight, g/mol:	392.076155
ΔH_f, kcal/mol:	-101.82
Dipole, Da:	1.93
IP(EA), eV:	-9.04(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-chloro-N-[3-[(2S)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)N2[C@H](SCC2=O)C3=CC(=CC=C3)NC(=O)[C@@H](C)Cl

DOS

IR

Vibrations