Geometry & MOs

Info

ID:	146480
PubChem CID:	53696394
Reduced:	O7H14C20 (1)
Stoich.:	A7B14C20 (1)
Weight, g/mol:	360.171893
ΔH_f, kcal/mol:	-238.1
Dipole, Da:	10.23
IP(EA), eV:	-10.58(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 9-ethoxy-9-(ethoxycarbonylhydrazinylidene)-5-sulfanylidenenonanoate

Drug info:

PubChemData

Smile

CC1CC(C2=C1C=CC3=C2C(=O)OC3=O)C4=CC(=C(C=C4)C(=O)O)C(=O)O

DOS

IR

Vibrations