Geometry & MOs

Info

ID:	155589
PubChem CID:	56366110
Reduced:	SN4O4C22H24 (1)
Stoich.:	AB4C4D22E24 (1)
Weight, g/mol:	403.120192
ΔH_f, kcal/mol:	-87.09
Dipole, Da:	6.53
IP(EA), eV:	-8.93(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-nitro-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]benzamide

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)CNC(=O)CN3C4=CC=CC=C4C(=O)C=N3

DOS

IR

Vibrations