Geometry & MOs

Info

ID:	245605
PubChem CID:	99455584
Reduced:	N3O5C27H33 (1)
Stoich.:	A3B5C27D33 (1)
Weight, g/mol:	479.242021
ΔH_f, kcal/mol:	-173.17
Dipole, Da:	8.19
IP(EA), eV:	-8.33(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)NC[C@@H](C)N4C[C@H](O[C@H](C4)C)C

DOS

IR

Vibrations