Geometry & MOs

Info

ID:	366872
PubChem CID:	127321774
Reduced:	ClON2C13H19 (1)
Stoich.:	ABC2D13E19 (1)
Weight, g/mol:	396.171893
ΔH_f, kcal/mol:	-46.22
Dipole, Da:	3.8
IP(EA), eV:	-8.94(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(2-methylazepan-1-yl)-3-oxopropyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Drug info:

PubChemData

Smile

CC1CCCCCN1C(=O)C2=CC(=CN2C)Cl

DOS

IR

Vibrations