Geometry & MOs

Info

ID:	245659
PubChem CID:	99455815
Reduced:	O2N3C22H33 (1)
Stoich.:	A2B3C22D33 (1)
Weight, g/mol:	441.158597
ΔH_f, kcal/mol:	-89.21
Dipole, Da:	2.34
IP(EA), eV:	-8.67(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(2,5-dichlorobenzoyl)-N-[(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)[C@@H](C)CNC(=O)C2=CC3=C(N2)C=C(C=C3)C(C)(C)C

DOS

IR

Vibrations