Geometry & MOs

Info

ID:	46850
PubChem CID:	10527879
Reduced:	N2O3C11H21 (2)
Stoich.:	A2B3C11D21 (2)
Weight, g/mol:	458.1334
ΔH_f, kcal/mol:	-281.47
Dipole, Da:	8.3
IP(EA), eV:	-9.2(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)sulfonyl-2-[[1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-2-yl]methyl]-2,5-dihydropyrrole

Drug info:

PubChemData

Smile

CCCCCCCCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O

DOS

IR

Vibrations