Geometry & MOs

Info

ID:	234769
PubChem CID:	92303461
Reduced:	SN2O3C22H26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	398.166414
ΔH_f, kcal/mol:	-100.83
Dipole, Da:	3.03
IP(EA), eV:	-8.56(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2[C@@H](SCC2=O)C3=CC=C(C=C3)NC(=O)CC(C)C

DOS

IR

Vibrations