Geometry & MOs

Info

ID:	196088
PubChem CID:	78777470
Reduced:	N2O3C19H22 (1)
Stoich.:	A2B3C19D22 (1)
Weight, g/mol:	436.193297
ΔH_f, kcal/mol:	-71.69
Dipole, Da:	2.85
IP(EA), eV:	-8.45(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyanophenyl)-2-[2-[4-(2-methylpropyl)piperazine-1-carbonyl]phenyl]sulfanylacetamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)C2=CC=C(C=C2)O)OC3=CC=CC=C3

DOS

IR

Vibrations