Geometry & MOs

Info

ID:	59111
PubChem CID:	24771007
Reduced:	SO3N4H18C20 (1)
Stoich.:	AB3C4D18E20 (1)
Weight, g/mol:	394.109962
ΔH_f, kcal/mol:	-22.8
Dipole, Da:	3.03
IP(EA), eV:	-8.38(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-(1-naphthalen-1-ylsulfonylindazol-7-yl)propanamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)N3C4=CC=CC(=C4C=N3)NCCC(=O)N

DOS

IR

Vibrations