Geometry & MOs

Info

ID:	172562
PubChem CID:	75524890
Reduced:	SO2N4C19H22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	431.124798
ΔH_f, kcal/mol:	6.02
Dipole, Da:	10.32
IP(EA), eV:	-8.66(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(4-chlorophenyl)-2-[4-(2-nitrobenzoyl)piperazin-1-yl]acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CCOC)C)/C=C(/C#N)\C(=O)NC2=NC3=C(S2)CCC3

DOS

IR

Vibrations