Geometry & MOs

Info

ID:	68863
PubChem CID:	46509734
Reduced:	FSN4O5H19C23 (1)
Stoich.:	ABC4D5E19F23 (1)
Weight, g/mol:	445.100874
ΔH_f, kcal/mol:	-121.42
Dipole, Da:	4.63
IP(EA), eV:	-9.46(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methylquinoxalin-2-yl)methyl 1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(NC(=C1C(=O)OC)C)C(=O)COC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=C(C=C4)F

DOS

IR

Vibrations