Geometry & MOs

Info

ID:	125852
PubChem CID:	50941503
Reduced:	NF3S4O6H10C18 (1)
Stoich.:	AB3C4D6E10F18 (1)
Weight, g/mol:	306.089209
ΔH_f, kcal/mol:	-312.52
Dipole, Da:	5.64
IP(EA), eV:	-8.54(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-ethynyl-6-hydroxy-2-(4-methylphenyl)-1-benzofuran-5-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(SC(=C2SC3=C(S2)C=C4C(=C3)C(=O)N(C4=O)CC(F)(F)F)S1)C(=O)OC

DOS

IR

Vibrations