Geometry & MOs

Info

ID:	235104
PubChem CID:	92304043
Reduced:	NOC11H13 (2)
Stoich.:	ABC11D13 (2)
Weight, g/mol:	394.171499
ΔH_f, kcal/mol:	-47.69
Dipole, Da:	5.55
IP(EA), eV:	-8.52(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(2S)-3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]cyclopentanecarboxamide

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)C[C@H](C1=CC=C(C=C1)OC)C2=CNC3=CC=CC=C32

DOS

IR

Vibrations