Geometry & MOs

Info

ID:	59128
PubChem CID:	24771121
Reduced:	SO3N4C22H22 (1)
Stoich.:	AB3C4D22E22 (1)
Weight, g/mol:	423.149087
ΔH_f, kcal/mol:	44.14
Dipole, Da:	16.13
IP(EA), eV:	-7.64(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3-amino-3-oxopropyl)-dimethyl-(1-naphthalen-1-ylsulfonylindazol-7-yl)azanium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations