Geometry & MOs

Info

ID:	234906
PubChem CID:	92303688
Reduced:	SN2O2F3H17C19 (1)
Stoich.:	AB2C2D3E17F19 (1)
Weight, g/mol:	394.096283
ΔH_f, kcal/mol:	-206.34
Dipole, Da:	3.93
IP(EA), eV:	-9.18(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations