Geometry & MOs

Info

ID:	386931
PubChem CID:	134983417
Reduced:	NSO3C19H25 (1)
Stoich.:	ABC3D19E25 (1)
Weight, g/mol:	320.125988
ΔH_f, kcal/mol:	-107.61
Dipole, Da:	8.06
IP(EA), eV:	-8.88(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 6-methyl-5-oxo-1,3,3a,4,7,9-hexahydroazuleno[4,5-c]furan-8,8-dicarboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=C2CN(CC2(C1)C)S(=O)(=O)C3=CC=C(C=C3)C)C)CO

DOS

IR

Vibrations