Geometry & MOs

Info

ID:	234768
PubChem CID:	92303460
Reduced:	SN2O4C21H22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	398.166414
ΔH_f, kcal/mol:	-115.91
Dipole, Da:	1.62
IP(EA), eV:	-8.57(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC(=O)NC1=CC=CC(=C1)[C@H]2N(C(=O)CS2)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations