Geometry & MOs

Info

ID:	342857
PubChem CID:	127266020
Reduced:	SO2N3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	308.083078
ΔH_f, kcal/mol:	-42.84
Dipole, Da:	4.01
IP(EA), eV:	-9.07(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6aR)-5-(2-ethylphenyl)sulfonyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1S(=O)(=O)NCC2=NC=CN2CC

DOS

IR

Vibrations