Geometry & MOs

Info

ID:	140439
PubChem CID:	52697823
Reduced:	BrFN2O2S2C17H22 (1)
Stoich.:	ABC2D2E2F17G22 (1)
Weight, g/mol:	345.03644
ΔH_f, kcal/mol:	-70.04
Dipole, Da:	4.39
IP(EA), eV:	-8.75(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-bromophenyl)-1-(2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CCN(CC)CCN(CC1=CC=CS1)S(=O)(=O)C2=C(C=C(C=C2)F)Br

DOS

IR

Vibrations