Geometry & MOs

Info

ID:	73826
PubChem CID:	48420589
Reduced:	NOH9C12 (2)
Stoich.:	ABC9D12 (2)
Weight, g/mol:	404.083078
ΔH_f, kcal/mol:	42.55
Dipole, Da:	6.23
IP(EA), eV:	-9.54(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[phenyl(pyridin-4-yl)methyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=NC=C2)OC(=O)/C=C/C3=CC=CC4=C3N=CC=C4

DOS

IR

Vibrations