Geometry & MOs

Info

ID:	28831
PubChem CID:	829923
Reduced:	N2F3O3C16H17 (1)
Stoich.:	A2B3C3D16E17 (1)
Weight, g/mol:	320.040168
ΔH_f, kcal/mol:	-238.1
Dipole, Da:	4.85
IP(EA), eV:	-9.18(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(furan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)N2[C@]([C@@H]3CCCCC3=N2)(C(F)(F)F)O

DOS

IR

Vibrations