Geometry & MOs

Info

ID:	404408
PubChem CID:	135066173
Reduced:	PO2C22H31 (1)
Stoich.:	AB2C22D31 (1)
Weight, g/mol:	499.228774
ΔH_f, kcal/mol:	-122.2
Dipole, Da:	3.02
IP(EA), eV:	-9.79(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-fluoro-1-methyl-3-[[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]indole-2-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCCOP(=O)(C1=CC=CC=C1)C2=CC=CC=C2

DOS

IR

Vibrations