Geometry & MOs

Info

ID:	138856
PubChem CID:	52435024
Reduced:	ClN3O3C23H28 (1)
Stoich.:	AB3C3D23E28 (1)
Weight, g/mol:	429.181919
ΔH_f, kcal/mol:	-92.99
Dipole, Da:	5.3
IP(EA), eV:	-8.94(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(4-chlorophenyl)-2-methoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)[C@@H](C3=CC=C(C=C3)Cl)OC

DOS

IR

Vibrations