Geometry & MOs

Info

ID:	435879
PubChem CID:	135192661
Reduced:	O2S2F3H5C7 (1)
Stoich.:	A2B2C3D5E7 (1)
Weight, g/mol:	439.120684
ΔH_f, kcal/mol:	-216.75
Dipole, Da:	2.16
IP(EA), eV:	-9.81(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(E)-hex-1-enyl]-2-methyl-4-(2,3,4,5,6-pentafluorobenzoyl)-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(F)(F)F)S(=O)(=S)O

DOS

IR

Vibrations