Geometry & MOs

Info

ID:	345085
PubChem CID:	127268845
Reduced:	SN2O3C20H32 (1)
Stoich.:	AB2C3D20E32 (1)
Weight, g/mol:	366.197714
ΔH_f, kcal/mol:	-128.74
Dipole, Da:	6.32
IP(EA), eV:	-8.68(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-1-(oxolan-2-yl)methanesulfonamide

Drug info:

PubChemData

Smile

C1CCCN(CC1)CC2=CC=CC(=C2)CNS(=O)(=O)CC3CCCCO3

DOS

IR

Vibrations