Geometry & MOs

Info

ID:	345084
PubChem CID:	127268844
Reduced:	N2S2O4C15H24 (1)
Stoich.:	A2B2C4D15E24 (1)
Weight, g/mol:	380.213364
ΔH_f, kcal/mol:	-160.75
Dipole, Da:	7.02
IP(EA), eV:	-9.8(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN(CCC1=CC=CC=N1)S(=O)(=O)C2CCS(=O)(=O)CC2

DOS

IR

Vibrations