Geometry & MOs

Info

ID:	405946
PubChem CID:	135076044
Reduced:	OF3H15C17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	361.117021
ΔH_f, kcal/mol:	-120.92
Dipole, Da:	2.82
IP(EA), eV:	-9.29(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-(1,3-dithiolan-2-ylidene)-6,6-dimethyl-N-(4-methylphenyl)-3-oxohept-4-enamide

Drug info:

PubChemData

Smile

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OC(=C(F)F)F

DOS

IR

Vibrations