Geometry & MOs

Info

ID:	65103
PubChem CID:	29204474
Reduced:	SN4O5C21H26 (1)
Stoich.:	AB4C5D21E26 (1)
Weight, g/mol:	424.156912
ΔH_f, kcal/mol:	-102.82
Dipole, Da:	14.03
IP(EA), eV:	-9.05(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-methylpyrazol-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)benzamide

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCCNC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations