Geometry & MOs

Info

ID:	59112
PubChem CID:	24771010
Reduced:	SO3N4H18C20 (1)
Stoich.:	AB3C4D18E20 (1)
Weight, g/mol:	408.125612
ΔH_f, kcal/mol:	-19.4
Dipole, Da:	8.57
IP(EA), eV:	-8.48(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[methyl-(1-naphthalen-1-ylsulfonylindazol-7-yl)amino]propanamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)N3C4=C(C=CC=C4NC(=O)CCN)C=N3

DOS

IR

Vibrations