Geometry & MOs

Info

ID:	70832
PubChem CID:	48413929
Reduced:	SO4N5C18H23 (1)
Stoich.:	AB4C5D18E23 (1)
Weight, g/mol:	398.141262
ΔH_f, kcal/mol:	-108.19
Dipole, Da:	3.69
IP(EA), eV:	-9.51(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C

DOS

IR

Vibrations