Geometry & MOs

Info

ID:	8725
PubChem CID:	80707
Reduced:	SN2O5H16C18 (1)
Stoich.:	AB2C5D16E18 (1)
Weight, g/mol:	372.077993
ΔH_f, kcal/mol:	-154.87
Dipole, Da:	9.81
IP(EA), eV:	-8.8(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(4-amino-3-methylbenzoyl)amino]-4-hydroxynaphthalene-2-sulfonic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC3=CC(=CC(=C3C=C2)O)S(=O)(=O)O)N

DOS

IR

Vibrations