Geometry & MOs

Info

ID:	62546
PubChem CID:	26719856
Reduced:	NCl2O2H13C16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	372.12407
ΔH_f, kcal/mol:	-59.42
Dipole, Da:	3.03
IP(EA), eV:	-8.98(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3-chloro-4-methylanilino)-3-oxopropyl]-4-oxo-4-phenylbutanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)[C@H]2CC3=C(O2)C=CC(=C3)Cl)Cl

DOS

IR

Vibrations