Geometry & MOs

Info

ID:

320666

PubChem CID:

126662430

Reduced:

ClNSF4O5H22C27 (1)

Stoich.:

ABCD4E5F22G27 (1)

Weight, g/mol:

521.087528

ΔHf, kcal/mol:

-347.2

Dipole, Da:

6.76

IP(EA), eV:

 -8.61(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3R)-6-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-4-(4-fluoro-3-methoxyphenyl)sulfonyl-3-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methanol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations