Geometry & MOs

Info

ID:	178783
PubChem CID:	76382034
Reduced:	S3N5O7C20H25 (1)
Stoich.:	A3B5C7D20E25 (1)
Weight, g/mol:	556.083489
ΔH_f, kcal/mol:	-191.62
Dipole, Da:	4.37
IP(EA), eV:	-8.85(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

4-(diazonioamino)-1-[3-[3-[3-[4-(diazonioamino)-2-sulfophenyl]prop-2-enylidene]-2-oxocyclopentylidene]prop-1-enyl]-2-sulfobenzene

Drug info:

PubChemData

Smile

CCSC1=C(N2C(C(C2=O)NC(=O)C(=NOCC(=O)OC(C)(C)C)C3=CSC(=N3)N)SC1)C(=O)O

DOS

IR

Vibrations