Geometry & MOs

Info

ID:	81819
PubChem CID:	49855206
Reduced:	ClON6C18H19 (1)
Stoich.:	ABC6D18E19 (1)
Weight, g/mol:	401.023705
ΔH_f, kcal/mol:	41.79
Dipole, Da:	6.32
IP(EA), eV:	-8.91(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

CC(C)(C(=O)N1CCC1)NC2=NC(=NC=C2)C3=CNC4=C3C=C(C=N4)Cl

DOS

IR

Vibrations