Geometry & MOs

Info

ID:	320633
PubChem CID:	126662229
Reduced:	ClFNO3H17C20 (1)
Stoich.:	ABCD3E17F20 (1)
Weight, g/mol:	567.073021
ΔH_f, kcal/mol:	-145.82
Dipole, Da:	3.77
IP(EA), eV:	-9.06(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-4-[3-(difluoromethoxy)phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]propanoic acid

Drug info:

PubChemData

Smile

C/C(=C\C1=C(C=CC=C1Cl)F)/C2=CC3=C(C=C2)NC(=O)C(C3)CC(=O)O

DOS

IR

Vibrations