Geometry & MOs

Info

ID:	218754
PubChem CID:	85089911
Reduced:	N2F5O6H21C22 (1)
Stoich.:	A2B5C6D21E22 (1)
Weight, g/mol:	504.300462
ΔH_f, kcal/mol:	-429.63
Dipole, Da:	5.09
IP(EA), eV:	-8.66(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-ditert-butyl-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1-(1-dimethoxyphosphorylcyclopentyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)C=CC2=C(C=C(C=C2OC)OC)OC)NC(=O)C(C(F)(F)F)(F)F

DOS

IR

Vibrations