Geometry & MOs

Info

ID:	17062
PubChem CID:	482989
Reduced:	SN2O7H18C20 (1)
Stoich.:	AB2C7D18E20 (1)
Weight, g/mol:	430.083472
ΔH_f, kcal/mol:	-237.7
Dipole, Da:	9.52
IP(EA), eV:	-9.1(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(4-ethoxycarbonylphenyl)carbamoylamino]-4-hydroxynaphthalene-2-sulfonic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC3=CC(=CC(=C3C=C2)O)S(=O)(=O)O

DOS

IR

Vibrations