Geometry & MOs

Info

ID:	245604
PubChem CID:	99455582
Reduced:	ClN2O3C18H27 (1)
Stoich.:	AB2C3D18E27 (1)
Weight, g/mol:	479.242021
ΔH_f, kcal/mol:	-137.65
Dipole, Da:	3.45
IP(EA), eV:	-8.55(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@H](O1)C)[C@H](C)CNC(=O)COC2=C(C=C(C=C2)Cl)C

DOS

IR

Vibrations