Geometry & MOs

Info

ID:	150766
PubChem CID:	53790462
Reduced:	N2O3C21H26 (1)
Stoich.:	A2B3C21D26 (1)
Weight, g/mol:	553.02432
ΔH_f, kcal/mol:	-89.87
Dipole, Da:	1.68
IP(EA), eV:	-7.79(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-(carbamoylamino)-5-[[2-methoxy-5-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]benzenesulfonic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)OC)CNC2=CC(=CC=C2)N3CCCCC3

DOS

IR

Vibrations