Geometry & MOs

Info

ID:	132996
PubChem CID:	51459613
Reduced:	SN3O6C23H25 (1)
Stoich.:	AB3C6D23E25 (1)
Weight, g/mol:	470.160363
ΔH_f, kcal/mol:	-141.47
Dipole, Da:	3.32
IP(EA), eV:	-9.32(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(2S)-2-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-4-olate

Drug info:

PubChemData

Smile

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)C3=CC(=O)[C@@H]4C=CC=C[C@H]4O3

DOS

IR

Vibrations