Geometry & MOs

Info

ID:	143140
PubChem CID:	53152258
Reduced:	SO2N3C14H15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	283.02079
ΔH_f, kcal/mol:	-13.94
Dipole, Da:	2.09
IP(EA), eV:	-8.79(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-4-propyl-5H-1,4-benzoxazepin-3-one

Drug info:

PubChemData

Smile

COC1=NC=C(C=N1)C(=O)NCC2=CC=C(C=C2)SC

DOS

IR

Vibrations