Geometry & MOs

Info

ID:	178346
PubChem CID:	76313981
Reduced:	BrNSO2C13H21 (1)
Stoich.:	ABCD2E13F21 (1)
Weight, g/mol:	286.115127
ΔH_f, kcal/mol:	-40.73
Dipole, Da:	6.47
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750991
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide

Drug info:

PubChemData

Smile

C[N+](C)(C)CCCS(=O)(=O)CC1=CC=C(C=C1)Br

DOS

IR

Vibrations