Geometry & MOs

Info

ID:	187716
PubChem CID:	77614037
Reduced:	FN3O6C15H18 (1)
Stoich.:	AB3C6D15E18 (1)
Weight, g/mol:	385.049919
ΔH_f, kcal/mol:	-277.08
Dipole, Da:	3.44
IP(EA), eV:	-9.2(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorofuran-3-yl)-3-hydroxy-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one;7lambda6-thiabicyclo[2.2.1]heptane 7,7-dioxide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC2C(C(=O)NC(=O)N2C3C(C(C(O3)CO)O)O)F

DOS

IR

Vibrations