Geometry & MOs

Info

ID:	234822
PubChem CID:	92303556
Reduced:	SN2O2C20H22 (1)
Stoich.:	AB2C2D20E22 (1)
Weight, g/mol:	358.115127
ΔH_f, kcal/mol:	-55.23
Dipole, Da:	6.12
IP(EA), eV:	-8.63(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N2[C@H](SCC2=O)C3=CC=C(C=C3)NC(=O)CC

DOS

IR

Vibrations