Geometry & MOs

Info

ID:	410918
PubChem CID:	135083719
Reduced:	SO2N4C8H16 (1)
Stoich.:	AB2C4D8E16 (1)
Weight, g/mol:	271.931096
ΔH_f, kcal/mol:	-56.14
Dipole, Da:	5.33
IP(EA), eV:	-8.53(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7,8-trichloro-3,1-benzoxazepine-2-carbonitrile

Drug info:

PubChemData

Smile

CN(C)C(=NC(=S)NC(=O)OC)N(C)C

DOS

IR

Vibrations