Geometry & MOs

Info

ID:	159224
PubChem CID:	57264444
Reduced:	ClOC14H19 (1)
Stoich.:	ABC14D19 (1)
Weight, g/mol:	372.077993
ΔH_f, kcal/mol:	-54.85
Dipole, Da:	2.6
IP(EA), eV:	-9.25(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-amino-5-methylbenzoyl)amino]-5-hydroxynaphthalene-1-sulfonic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(CCC=O)Cl

DOS

IR

Vibrations