Geometry & MOs

Info

ID:	234998
PubChem CID:	92303855
Reduced:	SN2O2C25H30 (1)
Stoich.:	AB2C2D25E30 (1)
Weight, g/mol:	422.202799
ΔH_f, kcal/mol:	-70.22
Dipole, Da:	6.02
IP(EA), eV:	-8.9(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=CC=CC=C1N2[C@@H](SCC2=O)C3=CC(=CC=C3)NC(=O)C4CCCCC4

DOS

IR

Vibrations