Geometry & MOs

Info

ID:	205937
PubChem CID:	80179990
Reduced:	NSO4C14H19 (1)
Stoich.:	ABC4D14E19 (1)
Weight, g/mol:	360.99834
ΔH_f, kcal/mol:	-161.85
Dipole, Da:	8.22
IP(EA), eV:	-9.68(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(C2)(C)C)C(=O)O

DOS

IR

Vibrations