Geometry & MOs

Info

ID:	226996
PubChem CID:	87559498
Reduced:	H2O2F5C8 (2)
Stoich.:	A2B2C5D8 (2)
Weight, g/mol:	509.223594
ΔH_f, kcal/mol:	-538.88
Dipole, Da:	0.03
IP(EA), eV:	-10.78(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-cyclohexyl-2-(2-formyl-4-methoxyphenyl)-1-prop-2-enylindole-6-carboxylate;methylsulfinylmethane

Drug info:

PubChemData

Smile

C(C1=C(C(=C(C(=C1F)F)F)F)F)OC(=O)C(=O)OCC2=C(C(=C(C(=C2F)F)F)F)F

DOS

IR

Vibrations