Geometry & MOs

Info

ID:	367091
PubChem CID:	127323144
Reduced:	O3N4C18H26 (1)
Stoich.:	A3B4C18D26 (1)
Weight, g/mol:	385.12269
ΔH_f, kcal/mol:	-100.33
Dipole, Da:	3.03
IP(EA), eV:	-8.34(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-5-methylsulfonylphenyl)-2-(4-cyclobutylpiperazin-1-yl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)NC(=O)CN2CCN(CC2)C3CCC3

DOS

IR

Vibrations