Geometry & MOs

Info

ID:	221040
PubChem CID:	85256591
Reduced:	BrOSF3C6H8 (1)
Stoich.:	ABCD3E6F8 (1)
Weight, g/mol:	268.02113
ΔH_f, kcal/mol:	-183.77
Dipole, Da:	3.15
IP(EA), eV:	-8.86(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(bromomethyl)-6-phenyldiazinan-3-one

Drug info:

PubChemData

Smile

CCOC(=C(SC)Br)C(F)(F)F

DOS

IR

Vibrations