Geometry & MOs

Info

ID:	234869
PubChem CID:	92303631
Reduced:	SF2N2O2H16C22 (1)
Stoich.:	AB2C2D2E16F22 (1)
Weight, g/mol:	313.128255
ΔH_f, kcal/mol:	-98.02
Dipole, Da:	3.73
IP(EA), eV:	-9.05(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3,5,5-trimethyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)hexanamide

Drug info:

PubChemData

Smile

C1C(=O)N([C@@H](S1)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

DOS

IR

Vibrations