Geometry & MOs

Info

ID:	307752
PubChem CID:	125308841
Reduced:	OSN4C23H28 (1)
Stoich.:	ABC4D23E28 (1)
Weight, g/mol:	408.198383
ΔH_f, kcal/mol:	14.32
Dipole, Da:	8.55
IP(EA), eV:	-8.2(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(1R,9aS)-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

C1CCN2CCC[C@@H]([C@H]2C1)CN3CC(=O)C(=C3N)C4=NC(=CS4)C5=CC=CC=C5

DOS

IR

Vibrations