Geometry & MOs

Info

ID:	161964
PubChem CID:	57393187
Reduced:	SN2O2C19H30 (1)
Stoich.:	AB2C2D19E30 (1)
Weight, g/mol:	413.213698
ΔH_f, kcal/mol:	-72.66
Dipole, Da:	2.91
IP(EA), eV:	-8.63(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(1R,5S)-3-hexyl-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]pyridine-3-sulfonamide

Drug info:

PubChemData

Smile

CCCCCCN1C[C@@H]2[C@H](C1)C2(C)C3=CC(=CC=C3)NS(=O)(=O)C

DOS

IR

Vibrations