Geometry & MOs

Info

ID:	173440
PubChem CID:	75638838
Reduced:	ON5H21C24 (1)
Stoich.:	AB5C21D24 (1)
Weight, g/mol:	442.053138
ΔH_f, kcal/mol:	133.65
Dipole, Da:	10.76
IP(EA), eV:	-9.33(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-(3,4-dimethoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC3=NN=NN3C(C2)C4=CC=C(C=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations