Geometry & MOs

Info

ID:	340443
PubChem CID:	127262454
Reduced:	NaSN2O4C7H7 (1)
Stoich.:	ABC2D4E7F7 (1)
Weight, g/mol:	684.068507
ΔH_f, kcal/mol:	-190.76
Dipole, Da:	8.93
IP(EA), eV:	-9.09(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

disodium;2-[(4-aminobenzoyl)amino]-5-[[4-[(4-aminobenzoyl)amino]-3-sulfonatophenyl]carbamoylamino]benzenesulfonate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NC=O)N)S(=O)(=O)[O-].[Na+]

DOS

IR

Vibrations