Geometry & MOs

Info

ID:	59129
PubChem CID:	24771122
Reduced:	SO3N4C22H23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	422.141262
ΔH_f, kcal/mol:	4.84
Dipole, Da:	3.98
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.899281
Charge, e:	0

Chem-info

IUPAC name:

3-[ethyl-(1-naphthalen-1-ylsulfonylindazol-4-yl)amino]propanamide

Drug info:

PubChemData

Smile

C[N+](C)(CCC(=O)N)C1=CC=CC2=C1N(N=C2)S(=O)(=O)C3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations