Geometry & MOs

Info

ID:

320642

PubChem CID:

126662283

Reduced:

ClNSF4O6H22C27 (1)

Stoich.:

ABCD4E6F22G27 (1)

Weight, g/mol:

595.104321

ΔHf, kcal/mol:

-371.62

Dipole, Da:

8.89

IP(EA), eV:

 -8.83(-1.09)

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-7-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]propanoic acid

Drug info:

PubChemData

Smile

C/C(=C\C1=C(C2=C(C=C1)O[C@H](CN2S(=O)(=O)C3=CC=CC(=C3)OC(F)F)CCC(=O)O)F)/C4=C(C=CC=C4Cl)F

DOS

IR

Vibrations