Geometry & MOs

Info

ID:	188524
PubChem CID:	77727425
Reduced:	NSO3C10H14 (2)
Stoich.:	ABC3D10E14 (2)
Weight, g/mol:	354.070799
ΔH_f, kcal/mol:	-226.55
Dipole, Da:	4.98
IP(EA), eV:	-9.26(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylsulfonyl-6-propan-2-yl-1-(thiophene-2-carbonyl)-6,6a-dihydro-2H-pyrrolo[3,2-b]pyrrol-5-one

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CC=C3C2C(C(=O)N3S(=O)(=O)C)C(C)C

DOS

IR

Vibrations