Geometry & MOs

Info

ID:	320663
PubChem CID:	126662425
Reduced:	ClNSF4O4H22C26 (1)
Stoich.:	ABCD4E4F22G26 (1)
Weight, g/mol:	330.98555
ΔH_f, kcal/mol:	-305.87
Dipole, Da:	4.07
IP(EA), eV:	-8.7(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(6-bromo-7-fluoro-3-oxo-4H-1,4-benzoxazin-2-yl)propanoate

Drug info:

PubChemData

Smile

C[C@@H](C1CN(C2=C(O1)C=CC(=C2)/C=C(\C)/C3=C(C=CC=C3Cl)F)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F)O

DOS

IR

Vibrations