Geometry & MOs

Info

ID:	308124
PubChem CID:	125317052
Reduced:	NOC7H7 (3)
Stoich.:	ABC7D7 (3)
Weight, g/mol:	536.150285
ΔH_f, kcal/mol:	-53.91
Dipole, Da:	6.09
IP(EA), eV:	-8.63(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,4S,9aR,9bR)-8-benzoyl-4-(4-chlorobenzoyl)-2-(2,4-dimethylphenyl)-3a,4,9a,9b-tetrahydropyrrolo[3,4-a]indolizine-1,3-dione

Drug info:

PubChemData

Smile

COC1=CC2=C(CC(=N2)C(=O)N3C[C@H]4C[C@@H](C3)C5=CC=CC(=O)N5C4)C=C1

DOS

IR

Vibrations