Geometry & MOs

Info

ID:

320661

PubChem CID:

126662423

Reduced:

ClNSF4O5H22C27 (1)

Stoich.:

ABCD4E5F22G27 (1)

Weight, g/mol:

555.08942

ΔHf, kcal/mol:

-351.27

Dipole, Da:

10.87

IP(EA), eV:

 -9.1(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S)-1-[(2R)-6-[(E)-2-(2-chloro-6-fluorophenyl)prop-1-enyl]-4-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]ethanol

Drug info:

PubChemData

Smile

C/C(=C\C1=CC2=C(C=C1)OC(CC2S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)CNC(=O)O)/C4=C(C=CC=C4Cl)F

DOS

IR

Vibrations