Geometry & MOs

Info

ID:	383872
PubChem CID:	134975899
Reduced:	N3O3C7H11 (1)
Stoich.:	A3B3C7D11 (1)
Weight, g/mol:	280.022787
ΔH_f, kcal/mol:	-54.02
Dipole, Da:	1.84
IP(EA), eV:	-10.41(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-[3-(furan-2-yl)-5-methylsulfanylthiophen-2-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/C(CO)N=[N+]=[N-]

DOS

IR

Vibrations