Geometry & MOs

Info

ID:	59120
PubChem CID:	24771065
Reduced:	SO3N4C22H23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	451.180387
ΔH_f, kcal/mol:	7.93
Dipole, Da:	3.92
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.805515
Charge, e:	1

Chem-info

IUPAC name:

(3-amino-3-oxopropyl)-diethyl-(1-naphthalen-1-ylsulfonylindazol-6-yl)azanium

Drug info:

PubChemData

Smile

C[N+](C)(CCC(=O)N)C1=CC=CC2=C1C=NN2S(=O)(=O)C3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations