Geometry & MOs

Info

ID:	407182
PubChem CID:	135079507
Reduced:	NO4C14H19 (1)
Stoich.:	AB4C14D19 (1)
Weight, g/mol:	359.062757
ΔH_f, kcal/mol:	-132.0
Dipole, Da:	4.91
IP(EA), eV:	-9.14(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-cyano-2-[2-(4-fluorophenyl)sulfanyl-4,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl]acetate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=C(N1)C=O)C)OCCCC=C

DOS

IR

Vibrations