Geometry & MOs

Info

ID:

419451

PubChem CID:

135108197

Reduced:

N7O8C39H55 (1)

Stoich.:

A7B8C39D55 (1)

Weight, g/mol:

379.189592

ΔHf, kcal/mol:

-296.49

Dipole, Da:

11.0

IP(EA), eV:

 -8.31(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3aR,7aS)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC(C)[C@@H]1C(=O)NCCCC2=CC(=C(C=C2)OC)OCC(=O)NCCC[C@@H](C(=O)N[C@H](C(=O)N1)CC3=CC=CC=C3)NC(=O)CN4CCC(CC4)C(=O)N

DOS

IR

Vibrations