Geometry & MOs

Info

ID:	70763
PubChem CID:	48413836
Reduced:	SO3N5C15H17 (1)
Stoich.:	AB3C5D15E17 (1)
Weight, g/mol:	380.115441
ΔH_f, kcal/mol:	-40.09
Dipole, Da:	8.38
IP(EA), eV:	-9.48(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32

DOS

IR

Vibrations