Geometry & MOs

Info

ID:	234940
PubChem CID:	92303750
Reduced:	ON2F3C22H23 (1)
Stoich.:	AB2C3D22E23 (1)
Weight, g/mol:	422.202799
ΔH_f, kcal/mol:	-170.28
Dipole, Da:	7.13
IP(EA), eV:	-8.85(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(2S)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations