Geometry & MOs

Info

ID:	70768
PubChem CID:	48413842
Reduced:	ClSO3N4C14H17 (1)
Stoich.:	ABC3D4E14F17 (1)
Weight, g/mol:	414.136176
ΔH_f, kcal/mol:	-80.73
Dipole, Da:	3.99
IP(EA), eV:	-9.5(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-ethoxyphenyl)sulfonylamino]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)CCNS(=O)(=O)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations