Geometry & MOs

Info

ID:	307751
PubChem CID:	125308839
Reduced:	O2Cl3N4H17C24 (1)
Stoich.:	A2B3C4D17E24 (1)
Weight, g/mol:	408.198383
ΔH_f, kcal/mol:	64.76
Dipole, Da:	5.16
IP(EA), eV:	-9.29(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5-amino-4-(4-phenyl-1,3-thiazol-2-yl)-2H-pyrrol-3-one

Drug info:

PubChemData

Smile

C1C(=NN=C1C(=O)N/N=C\C2=C(C=CC=C2Cl)Cl)C3=CC=C(C=C3)OCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations