Geometry & MOs

Info

ID:	142086
PubChem CID:	52978112
Reduced:	SO2N4C21H22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	405.297799
ΔH_f, kcal/mol:	16.02
Dipole, Da:	5.69
IP(EA), eV:	-9.07(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(Z)-hexan-2-ylidene-[(3-methyl-7-nonyl-2,6-dioxopurin-8-yl)amino]azanium

Drug info:

PubChemData

Smile

CC(=O)N=C1N=C2C=CC(=CC2S1)C(=O)N3CCN(CC3)CC4=CC=CC=C4

DOS

IR

Vibrations