Geometry & MOs

Info

ID:	234997
PubChem CID:	92303854
Reduced:	ON2C22H26 (1)
Stoich.:	AB2C22D26 (1)
Weight, g/mol:	422.202799
ΔH_f, kcal/mol:	-11.72
Dipole, Da:	4.4
IP(EA), eV:	-8.39(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)C[C@H](C1=CC=C(C=C1)C)C2=CN(C3=CC=CC=C32)C

DOS

IR

Vibrations