Geometry & MOs

Info

ID:	48686
PubChem CID:	11110503
Reduced:	SN3O6H11C13 (1)
Stoich.:	AB3C6D11E13 (1)
Weight, g/mol:	337.106256
ΔH_f, kcal/mol:	-166.42
Dipole, Da:	5.59
IP(EA), eV:	-9.34(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(N-benzoylanilino)-2-diazonio-1-ethoxy-3-oxoprop-1-en-1-olate

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1)C(=O)OC)N2C(=O)C3=CC=CC=C3S2(=O)=O

DOS

IR

Vibrations