Geometry & MOs

Info

ID:	141319
PubChem CID:	52859915
Reduced:	SN2O4C21H26 (1)
Stoich.:	AB2C4D21E26 (1)
Weight, g/mol:	365.12285
ΔH_f, kcal/mol:	-138.51
Dipole, Da:	8.7
IP(EA), eV:	-8.97(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-bromo-N-[(3S)-1-cycloheptylpyrrolidin-1-ium-3-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC[C@@H]2CCCN(C2)C(=O)CC3=CC=CC=C3O

DOS

IR

Vibrations