Geometry & MOs

Info

ID:	401307
PubChem CID:	135050880
Reduced:	NS2O3C6H9 (1)
Stoich.:	AB2C3D6E9 (1)
Weight, g/mol:	353.101171
ΔH_f, kcal/mol:	-109.86
Dipole, Da:	4.52
IP(EA), eV:	-8.98(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-diazonio-1-methoxy-3-(N-(4-methoxybenzoyl)anilino)-3-oxoprop-1-en-1-olate

Drug info:

PubChemData

Smile

CCOC(=O)C1(CSC(=S)N1)O

DOS

IR

Vibrations