Geometry & MOs

Info

ID:

320662

PubChem CID:

126662424

Reduced:

ClNSF4O4H22C26 (1)

Stoich.:

ABCD4E4F22G26 (1)

Weight, g/mol:

555.08942

ΔHf, kcal/mol:

-308.61

Dipole, Da:

5.2

IP(EA), eV:

 -8.44(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S)-1-[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@@H]([C@H]1CN(C2=C(O1)C=CC(=C2)/C=C(\C)/C3=C(C=CC=C3Cl)F)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F)O

DOS

IR

Vibrations