Geometry & MOs

Info

ID:	47144
PubChem CID:	10529965
Reduced:	PO2Se2C23H23 (1)
Stoich.:	AB2C2D23E23 (1)
Weight, g/mol:	520.168443
ΔH_f, kcal/mol:	-27.61
Dipole, Da:	6.19
IP(EA), eV:	-8.4(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E,2S,3S)-2-methoxy-6-phenylmethoxy-3-(trifluoromethyl)hex-4-enyl] 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate

Drug info:

PubChemData

Smile

C1C(C[Se]CC2=CC=CC=C2P(=O)(C3=CC=CC=C3C[Se]1)C4=CC=CC=C4)O

DOS

IR

Vibrations