Geometry & MOs

Info

ID:	234792
PubChem CID:	92303502
Reduced:	SN2O2C23H28 (1)
Stoich.:	AB2C2D23E28 (1)
Weight, g/mol:	422.202799
ΔH_f, kcal/mol:	-71.69
Dipole, Da:	1.28
IP(EA), eV:	-8.9(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations