Geometry & MOs

Info

ID:	209451
PubChem CID:	80675585
Reduced:	BrSF2N2O2C12H15 (1)
Stoich.:	ABC2D2E2F12G15 (1)
Weight, g/mol:	339.08339
ΔH_f, kcal/mol:	-145.07
Dipole, Da:	5.04
IP(EA), eV:	-9.18(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-bromopropyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone

Drug info:

PubChemData

Smile

C1CN(CCN1CCBr)S(=O)(=O)C2=C(C=CC(=C2)F)F

DOS

IR

Vibrations