Geometry & MOs

Info

ID:	205942
PubChem CID:	80180975
Reduced:	OSN2C12H20 (1)
Stoich.:	ABC2D12E20 (1)
Weight, g/mol:	332.01941
ΔH_f, kcal/mol:	-40.12
Dipole, Da:	2.96
IP(EA), eV:	-9.0(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-(3,3-dimethylpyrrolidin-1-yl)sulfonylaniline

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C(C)NCC2(CCCO2)C

DOS

IR

Vibrations