Geometry & MOs

Info

ID:	242784
PubChem CID:	99206303
Reduced:	FSO2N4C21H25 (1)
Stoich.:	ABC2D4E21F25 (1)
Weight, g/mol:	389.148789
ΔH_f, kcal/mol:	-80.59
Dipole, Da:	4.73
IP(EA), eV:	-8.44(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2,4-dimethylphenoxy)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide

Drug info:

PubChemData

Smile

CCSC1=NC=CC(=C1)C(=O)NCCC(=O)N2CCN(CC2)C3=CC=C(C=C3)F

DOS

IR

Vibrations