Geometry & MOs

Info

ID:	205938
PubChem CID:	80179991
Reduced:	BrNSO4C13H16 (1)
Stoich.:	ABCD4E13F16 (1)
Weight, g/mol:	360.99834
ΔH_f, kcal/mol:	-144.66
Dipole, Da:	3.57
IP(EA), eV:	-9.74(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-(3,3-dimethylpyrrolidin-1-yl)sulfonylbenzoic acid

Drug info:

PubChemData

Smile

CC1(CCN(C1)S(=O)(=O)C2=C(C=C(C=C2)C(=O)O)Br)C

DOS

IR

Vibrations