Geometry & MOs

Info

ID:	414119
PubChem CID:	135087073
Reduced:	OC21H36 (1)
Stoich.:	AB21C36 (1)
Weight, g/mol:	446.089481
ΔH_f, kcal/mol:	-66.35
Dipole, Da:	3.47
IP(EA), eV:	-9.88(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-3-diphenylphosphoryloxy-3-[4-(trifluoromethyl)phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCCCCCCC/C=C/C(=O)CCCC#CCCCCC

DOS

IR

Vibrations