Geometry & MOs

Info

ID:

320635

PubChem CID:

126662232

Reduced:

ClNSF4O6H22C27 (1)

Stoich.:

ABCD4E6F22G27 (1)

Weight, g/mol:

599.079249

ΔHf, kcal/mol:

-376.31

Dipole, Da:

6.21

IP(EA), eV:

 -8.72(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[6-[(E)-2-(2-chloro-6-fluorophenyl)prop-1-enyl]-4-[3-(difluoromethoxy)phenyl]sulfonyl-8-fluoro-2,3-dihydro-1,4-benzoxazin-2-yl]propanoic acid

Drug info:

PubChemData

Smile

C/C(=C\C1=CC2=C(C(=C1)F)O[C@H](CN2S(=O)(=O)C3=CC=CC(=C3)OC(F)F)CCC(=O)O)/C4=C(C=CC=C4Cl)F

DOS

IR

Vibrations