Geometry & MOs

Info

ID:	166826
PubChem CID:	74739835
Reduced:	SO2N3C29H31 (1)
Stoich.:	AB2C3D29E31 (1)
Weight, g/mol:	428.037488
ΔH_f, kcal/mol:	-16.94
Dipole, Da:	7.7
IP(EA), eV:	-8.51(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-(furan-2-carbonyl)-2-(4-methoxyphenyl)-1-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-5-oxo-2H-pyrrol-4-olate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CSC2=C(C(C3C(=N2)CCCC3=O)C4=CC=C(C=C4)C(C)C)C#N)C

DOS

IR

Vibrations