Geometry & MOs

Info

ID:	25319
PubChem CID:	622872
Reduced:	OS2Br4H10C12 (1)
Stoich.:	AB2C4D10E12 (1)
Weight, g/mol:	369.073654
ΔH_f, kcal/mol:	30.49
Dipole, Da:	2.17
IP(EA), eV:	-9.48(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-acetyl-7,8,9,10-tetrafluoro-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide

Drug info:

PubChemData

Smile

C1=C(SC(=C1)Br)C(CBr)OC(CBr)C2=CC=C(S2)Br

DOS

IR

Vibrations