Geometry & MOs

Info

ID:	320679
PubChem CID:	126662478
Reduced:	ClSN2O2F4H21C25 (1)
Stoich.:	ABC2D2E4F21G25 (1)
Weight, g/mol:	317.00628
ΔH_f, kcal/mol:	-222.93
Dipole, Da:	5.64
IP(EA), eV:	-8.59(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(2S)-6-bromo-7-fluoro-3,4-dihydro-2H-1,4-benzoxazin-2-yl]propanoate

Drug info:

PubChemData

Smile

C/C(=C\C1=CC2=C(C[C@H](CN2S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)N)C=C1)/C4=C(C=CC=C4Cl)F

DOS

IR

Vibrations