Geometry & MOs

Info

ID:	37039
PubChem CID:	8016326
Reduced:	NO6C19H19 (1)
Stoich.:	AB6C19D19 (1)
Weight, g/mol:	406.087495
ΔH_f, kcal/mol:	-234.87
Dipole, Da:	12.98
IP(EA), eV:	-9.14(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1,3-dimethyl-6-(4-methylsulfanylphenyl)-8-oxocyclohepta[c]furan-4-yl] furan-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)NCC(=O)O)C)C3=C1C(=C(O3)C)C

DOS

IR

Vibrations