Geometry & MOs

Info

ID:	410810
PubChem CID:	135083611
Reduced:	OSN2H8C9 (1)
Stoich.:	ABC2D8E9 (1)
Weight, g/mol:	307.889173
ΔH_f, kcal/mol:	20.7
Dipole, Da:	4.44
IP(EA), eV:	-9.07(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6,7,8-tetrachloro-3,1-benzoxazepine-2-carbonitrile

Drug info:

PubChemData

Smile

C/C(=C(\C#N)/C(=O)C1=CC=CS1)/N

DOS

IR

Vibrations