Geometry & MOs

Info

ID:	68232
PubChem CID:	46508016
Reduced:	SO4N5H23C24 (1)
Stoich.:	AB4C5D23E24 (1)
Weight, g/mol:	425.17329
ΔH_f, kcal/mol:	-65.85
Dipole, Da:	3.25
IP(EA), eV:	-9.03(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide

Drug info:

PubChemData

Smile

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CC=C3)C(=O)OC(C)C(=O)NC4=C(C=CS4)C(=O)N

DOS

IR

Vibrations