Geometry & MOs

Info

ID:	6129
PubChem CID:	67109
Reduced:	N2S2O9C15H16 (1)
Stoich.:	A2B2C9D15E16 (1)
Weight, g/mol:	432.029722
ΔH_f, kcal/mol:	-314.83
Dipole, Da:	6.88
IP(EA), eV:	-9.45(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-3-[(2-methoxy-5-sulfophenyl)carbamoylamino]benzenesulfonic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)O)NC(=O)NC2=C(C=CC(=C2)S(=O)(=O)O)OC

DOS

IR

Vibrations