Geometry & MOs

Info

ID:	290442
PubChem CID:	104521851
Reduced:	SN3O3C11H17 (1)
Stoich.:	AB3C3D11E17 (1)
Weight, g/mol:	225.055656
ΔH_f, kcal/mol:	-69.49
Dipole, Da:	8.17
IP(EA), eV:	-9.06(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-chloro-2,2-dimethyl-3,5-dihydro-1,5-benzoxazepin-4-one

Drug info:

PubChemData

Smile

C1CCS(=O)(=O)C(C1)C2=NC(=NO2)C3CCCN3

DOS

IR

Vibrations