Geometry & MOs

Info

ID:	158120
PubChem CID:	56463015
Reduced:	SF2N4O4H18C19 (1)
Stoich.:	AB2C4D4E18F19 (1)
Weight, g/mol:	449.111789
ΔH_f, kcal/mol:	-164.57
Dipole, Da:	7.63
IP(EA), eV:	-9.1(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4,4,4-trifluoro-3-phenyl-N-propan-2-ylbut-2-enamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)NC2CC2)NC(=O)C3=CC4=C(C=C3)N=C(N4)C(F)F

DOS

IR

Vibrations