Geometry & MOs

Info

ID:	404412
PubChem CID:	135066178
Reduced:	PSiN2F3O3C18H26 (1)
Stoich.:	ABC2D3E3F18G26 (1)
Weight, g/mol:	467.222546
ΔH_f, kcal/mol:	-313.33
Dipole, Da:	5.46
IP(EA), eV:	-9.99(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOP(=O)(C1=CC=CC=C1)C2=CC(=NN2COCC[Si](C)(C)C)C(F)(F)F

DOS

IR

Vibrations