Geometry & MOs

Info

ID:	26430
PubChem CID:	647711
Reduced:	SN5O5C24H27 (1)
Stoich.:	AB5C5D24E27 (1)
Weight, g/mol:	496.184566
ΔH_f, kcal/mol:	-85.45
Dipole, Da:	7.58
IP(EA), eV:	-8.85(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(1,3-benzodioxol-5-yl)-1-(3,4-dimethoxyphenyl)-4,6-dioxo-3-propyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NC(=NO2)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations