Geometry & MOs

Info

ID:	234791
PubChem CID:	92303501
Reduced:	SN2O2C23H28 (1)
Stoich.:	AB2C2D23E28 (1)
Weight, g/mol:	396.187149
ΔH_f, kcal/mol:	-71.59
Dipole, Da:	5.52
IP(EA), eV:	-8.84(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations