Geometry & MOs

Info

ID:	298784
PubChem CID:	117656769
Reduced:	NCl2O4C27H35 (1)
Stoich.:	AB2C4D27E35 (1)
Weight, g/mol:	415.110584
ΔH_f, kcal/mol:	-193.42
Dipole, Da:	1.52
IP(EA), eV:	-9.47(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1S)-1-cyclopropyl-2-oxopropyl]piperidin-2-one

Drug info:

PubChemData

Smile

CC[C@@H]([C@H](C)CO)N1[C@@H]([C@H](C[C@](C1=O)(C)CC(O)OC)C2=CC(=CC=C2)Cl)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations