Geometry & MOs

Info

ID:	37875
PubChem CID:	8025270
Reduced:	SN3O3H21C23 (1)
Stoich.:	AB3C3D21E23 (1)
Weight, g/mol:	385.194974
ΔH_f, kcal/mol:	-38.65
Dipole, Da:	4.86
IP(EA), eV:	-9.22(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(1R,2R)-1-(azocan-1-ium-1-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)NC3=CC=CC=C3SCC#N

DOS

IR

Vibrations