Geometry & MOs

Info

ID:	406163
PubChem CID:	135076733
Reduced:	FO2C8H8 (2)
Stoich.:	AB2C8D8 (2)
Weight, g/mol:	366.164266
ΔH_f, kcal/mol:	-226.03
Dipole, Da:	1.85
IP(EA), eV:	-10.06(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (E)-3-[4,5-difluoro-2-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/C1=CC(=C(C=C1/C=C/C(=O)OCC)F)F

DOS

IR

Vibrations