Geometry & MOs

Info

ID:	157319
PubChem CID:	56422875
Reduced:	SF2N3O3H17C19 (1)
Stoich.:	AB2C3D3E17F19 (1)
Weight, g/mol:	400.160283
ΔH_f, kcal/mol:	-156.78
Dipole, Da:	3.61
IP(EA), eV:	-8.65(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propylamino]-3-oxopropyl]sulfanylacetate

Drug info:

PubChemData

Smile

COC(=O)CSCCC(=O)NC1=CC2=C(C=C1)N=C(N2)C3=C(C=CC(=C3)F)F

DOS

IR

Vibrations