Geometry & MOs

Info

ID:	120858
PubChem CID:	50746982
Reduced:	FNO2C19H20 (1)
Stoich.:	ABC2D19E20 (1)
Weight, g/mol:	462.06128
ΔH_f, kcal/mol:	-93.21
Dipole, Da:	7.13
IP(EA), eV:	-9.04(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-bromo-6-[2-(3-methylphenyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CC(=O)N2CCCC2C3=CC(=CC=C3)F

DOS

IR

Vibrations