Geometry & MOs

Info

ID:	391630
PubChem CID:	135007310
Reduced:	NSO3C15H31 (1)
Stoich.:	ABC3D15E31 (1)
Weight, g/mol:	348.193674
ΔH_f, kcal/mol:	-191.66
Dipole, Da:	3.77
IP(EA), eV:	-8.24(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl (4Z)-4-hept-6-enylidene-3-methylidene-5-oxocyclohexane-1,1-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)CC(CC(=O)OC(C)(C)C)N[S@](=O)C(C)(C)C

DOS

IR

Vibrations