Geometry & MOs

Info

ID:	233441
PubChem CID:	90944495
Reduced:	NOC9H11 (2)
Stoich.:	ABC9D11 (2)
Weight, g/mol:	407.04973
ΔH_f, kcal/mol:	-47.49
Dipole, Da:	6.13
IP(EA), eV:	-9.71(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-amino-8-methyl-4-(4-methylphenyl)sulfanyloxynaphthalene-2-sulfonic acid;molecular oxygen

Drug info:

PubChemData

Smile

CC(C)(C)CCN1C(C(=O)C(C1=O)C#N)CC2=CC=CC=C2

DOS

IR

Vibrations