Geometry & MOs

Info

ID:	346712
PubChem CID:	127271216
Reduced:	SN3O4C19H29 (1)
Stoich.:	AB3C4D19E29 (1)
Weight, g/mol:	303.198048
ΔH_f, kcal/mol:	-148.1
Dipole, Da:	5.75
IP(EA), eV:	-8.79(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-ethylpiperidin-3-yl)methyl]azepane-1-sulfonamide

Drug info:

PubChemData

Smile

CCN1CCCC(C1)CNS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCOCC3

DOS

IR

Vibrations