Geometry & MOs

Info

ID:	62466
PubChem CID:	26719749
Reduced:	NCl2O2H11C15 (1)
Stoich.:	AB2C2D11E15 (1)
Weight, g/mol:	358.10842
ΔH_f, kcal/mol:	-49.92
Dipole, Da:	3.5
IP(EA), eV:	-9.25(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3-chloroanilino)-3-oxopropyl]-4-oxo-4-phenylbutanamide

Drug info:

PubChemData

Smile

C1[C@@H](OC2=C1C=C(C=C2)Cl)C(=O)NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations