Geometry & MOs

Info

ID:	40985
PubChem CID:	8145070
Reduced:	NO6C22H25 (1)
Stoich.:	AB6C22D25 (1)
Weight, g/mol:	396.104084
ΔH_f, kcal/mol:	-196.49
Dipole, Da:	3.92
IP(EA), eV:	-9.51(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-3-(4-chloro-2-fluoroanilino)-3-oxo-1-phenylpropyl]benzamide

Drug info:

PubChemData

Smile

CO[C@H]1[C@@H]([C@@H](O[C@@H]2[C@H]1O[C@@H](OC2)C3=CC=CC=C3)OC)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations