Geometry & MOs

Info

ID:	392944
PubChem CID:	135018622
Reduced:	N3O4H15C17 (1)
Stoich.:	A3B4C15D17 (1)
Weight, g/mol:	378.124943
ΔH_f, kcal/mol:	-94.3
Dipole, Da:	4.96
IP(EA), eV:	-8.49(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-5-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]-4-nitropentanal

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)N(C1=O)C)N=C3C(=C2)COC4=C3C=C(C=C4)OC

DOS

IR

Vibrations