Geometry & MOs

Info

ID:	386667
PubChem CID:	134982479
Reduced:	NSO3C23H25 (1)
Stoich.:	ABC3D23E25 (1)
Weight, g/mol:	290.115424
ΔH_f, kcal/mol:	-0.67
Dipole, Da:	4.48
IP(EA), eV:	-8.74(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 7-oxo-1,3,4a,5,6,7a-hexahydro-s-indacene-2,2-dicarboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CC3C(C2)C(=C3C4=CC(=CC=C4)OC)C(=C)C

DOS

IR

Vibrations