Geometry & MOs

Info

ID:	17069
PubChem CID:	483017
Reduced:	N2S2O11H18C21 (1)
Stoich.:	A2B2C11D18E21 (1)
Weight, g/mol:	538.035202
ΔH_f, kcal/mol:	-395.91
Dipole, Da:	9.27
IP(EA), eV:	-9.67(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[2,4-bis(methoxycarbonyl)phenyl]carbamoylamino]naphthalene-1,3-disulfonic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations