Geometry & MOs

Info

ID:	225087
PubChem CID:	85741504
Reduced:	BrINF2S2H5C10 (1)
Stoich.:	ABCD2E2F5G10 (1)
Weight, g/mol:	239.061614
ΔH_f, kcal/mol:	-2.35
Dipole, Da:	2.12
IP(EA), eV:	-9.19(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethenyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(SC(=N2)SC(F)(F)Br)I

DOS

IR

Vibrations