Geometry & MOs

Info

ID:	122560
PubChem CID:	50812543
Reduced:	ClSN2O4C17H17 (1)
Stoich.:	ABC2D4E17F17 (1)
Weight, g/mol:	406.075406
ΔH_f, kcal/mol:	-112.01
Dipole, Da:	6.2
IP(EA), eV:	-9.38(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(azepan-1-ylsulfonyl)-9-chloro-5H-benzo[b][1,4]benzoxazepin-6-one

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=C(C=C2C(=C1)C(=O)NC3=CC=CC=C3O2)Cl

DOS

IR

Vibrations