Geometry & MOs

Info

ID:	188523
PubChem CID:	77727358
Reduced:	ClO3N5H18C24 (1)
Stoich.:	AB3C5D18E24 (1)
Weight, g/mol:	456.138879
ΔH_f, kcal/mol:	96.96
Dipole, Da:	6.5
IP(EA), eV:	-9.24(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)C2=NC(C3=CC(=C4C(=C3N=C2)C=NN4)[N+](=O)[O-])C5=CC=CC=C5Cl

DOS

IR

Vibrations