Geometry & MOs

Info

ID:	231690
PubChem CID:	87574456
Reduced:	SO2N6C22H22 (1)
Stoich.:	AB2C6D22E22 (1)
Weight, g/mol:	386.118795
ΔH_f, kcal/mol:	48.12
Dipole, Da:	2.96
IP(EA), eV:	-8.38(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6,7-dimethoxy-3,5-dimethylnaphthalen-1-yl)-4-methylbenzenesulfonic acid

Drug info:

PubChemData

Smile

C1COC(CN1CCC=O)N2C=C(C=N2)C3=CC(=C(N=C3)N)C4=NC5=CC=CC=C5S4

DOS

IR

Vibrations