Geometry & MOs

Info

ID:	131470
PubChem CID:	51210234
Reduced:	SF2N3O3H15C18 (1)
Stoich.:	AB2C3D3E15F18 (1)
Weight, g/mol:	349.058421
ΔH_f, kcal/mol:	-136.48
Dipole, Da:	3.58
IP(EA), eV:	-9.2(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(3,4-difluorophenyl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)NC(=O)CSC2=CC(=C(C=C2)F)F)C3=CC=CC=C3

DOS

IR

Vibrations