Geometry & MOs

Info

ID:	175174
PubChem CID:	75864335
Reduced:	ClN2O3C25H31 (1)
Stoich.:	AB2C3D25E31 (1)
Weight, g/mol:	425.177313
ΔH_f, kcal/mol:	-118.02
Dipole, Da:	0.53
IP(EA), eV:	-9.35(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxo-2-[4-(2-phenyl-2-phenylsulfanylacetyl)piperazin-1-yl]-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)N1CCC(CC1)OCC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations