Geometry & MOs

Info

ID:	45883
PubChem CID:	10518616
Reduced:	O2C9H12 (2)
Stoich.:	A2B9C12 (2)
Weight, g/mol:	305.035794
ΔH_f, kcal/mol:	-168.16
Dipole, Da:	2.36
IP(EA), eV:	-8.96(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl) methanesulfonate

Drug info:

PubChemData

Smile

CC(=CCCC(C)(C1CC2=C(C=CC=C2O1)C(=O)OC)O)C

DOS

IR

Vibrations