Geometry & MOs

Info

ID:	335556
PubChem CID:	127254418
Reduced:	ClN2O4C18H19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	398.141262
ΔH_f, kcal/mol:	-125.15
Dipole, Da:	1.74
IP(EA), eV:	-8.74(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-pyrrol-3-one

Drug info:

PubChemData

Smile

COC1=CNC(=CC1=O)C(=O)N2CCC(CC2)(C3=CC=C(C=C3)Cl)O

DOS

IR

Vibrations