Geometry & MOs

Info

ID:	320649
PubChem CID:	126662363
Reduced:	ClSN2O3F4H23C27 (1)
Stoich.:	ABC2D3E4F23G27 (1)
Weight, g/mol:	270.98441
ΔH_f, kcal/mol:	-271.63
Dipole, Da:	2.67
IP(EA), eV:	-8.69(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-6-bromo-2-[(1S)-1-hydroxyethyl]-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

C/C(=C\C1=CC2=C(CC(CN2S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)NC(=O)C)C=C1)/C4=C(C=CC=C4Cl)F

DOS

IR

Vibrations