Geometry & MOs

Info

ID:	227940
PubChem CID:	87563097
Reduced:	ClSO2N4F9H16C28 (1)
Stoich.:	ABC2D4E9F16G28 (1)
Weight, g/mol:	394.156243
ΔH_f, kcal/mol:	-413.23
Dipole, Da:	3.9
IP(EA), eV:	-8.86(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(1H-indol-3-yl)-3-methylsulfonyloxypiperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C#N)C(=O)NC2=C(C=CC(=C2)C(=O)NC3=C(C=C(C=C3Cl)C(C(C(F)(F)F)(F)F)(C(F)(F)F)F)SC)C#N

DOS

IR

Vibrations