Geometry & MOs

Info

ID:	173675
PubChem CID:	75668006
Reduced:	O3N5C22H28 (1)
Stoich.:	A3B5C22D28 (1)
Weight, g/mol:	383.027258
ΔH_f, kcal/mol:	-27.65
Dipole, Da:	3.94
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.785501
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(C(NN1)C)C(=O)C2=C(C(=O)N(C2C3=CC=CC=C3)CCC[N+]4=CNC=C4)O

DOS

IR

Vibrations