Geometry & MOs

Info

ID:	70954
PubChem CID:	48414095
Reduced:	ON4H18C21 (1)
Stoich.:	AB4C18D21 (1)
Weight, g/mol:	336.125612
ΔH_f, kcal/mol:	67.1
Dipole, Da:	6.24
IP(EA), eV:	-9.2(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

DOS

IR

Vibrations