Geometry & MOs

Info

ID:	70755
PubChem CID:	48413823
Reduced:	ClSO3N4C16H21 (1)
Stoich.:	ABC3D4E16F21 (1)
Weight, g/mol:	402.032017
ΔH_f, kcal/mol:	-87.45
Dipole, Da:	3.53
IP(EA), eV:	-9.58(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C(C)C)Cl

DOS

IR

Vibrations