Geometry & MOs

Info

ID:	320636
PubChem CID:	126662236
Reduced:	ClNSF4O6H22C27 (1)
Stoich.:	ABCD4E6F22G27 (1)
Weight, g/mol:	353.099413
ΔH_f, kcal/mol:	-376.41
Dipole, Da:	5.14
IP(EA), eV:	-8.76(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-3-[4-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-2-fluoroanilino]butane-1,2-diol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations