Geometry & MOs

Info

ID:	129346
PubChem CID:	51072333
Reduced:	FNSO3C16H20 (1)
Stoich.:	ABCD3E16F20 (1)
Weight, g/mol:	297.078327
ΔH_f, kcal/mol:	-169.95
Dipole, Da:	5.35
IP(EA), eV:	-9.01(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)C(=O)CSC2=CC=CC=C2F

DOS

IR

Vibrations