Geometry & MOs

Info

ID:

320665

PubChem CID:

126662429

Reduced:

ClSN2F3O5H24C27 (1)

Stoich.:

ABC2D3E5F24G27 (1)

Weight, g/mol:

583.084334

ΔHf, kcal/mol:

-269.98

Dipole, Da:

6.9

IP(EA), eV:

 -8.79(-1.04)

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-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]propanoic acid

Drug info:

PubChemData

Smile

C/C(=C\C1=CC2=C(C(=C1)F)OC(CN2S(=O)(=O)C3=CC(=C(C=C3)F)OC)CNC(=O)C)/C4=C(C=CC=C4Cl)F

DOS

IR

Vibrations