Geometry & MOs

Info

ID:	235094
PubChem CID:	92304031
Reduced:	SF2N2O2H16C22 (1)
Stoich.:	AB2C2D2E16F22 (1)
Weight, g/mol:	394.171499
ΔH_f, kcal/mol:	-92.45
Dipole, Da:	0.48
IP(EA), eV:	-9.12(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(=O)N([C@@H](S1)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4F

DOS

IR

Vibrations