Geometry & MOs

Info

ID:	404227
PubChem CID:	135065501
Reduced:	SO3F4C14H18 (1)
Stoich.:	AB3C4D14E18 (1)
Weight, g/mol:	495.253846
ΔH_f, kcal/mol:	-346.6
Dipole, Da:	6.29
IP(EA), eV:	-10.31(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCCCCC(CC(F)(F)F)F

DOS

IR

Vibrations