Geometry & MOs

Info

ID:

219732

PubChem CID:

85164705

Reduced:

N3O6C33H41 (1)

Stoich.:

A3B6C33D41 (1)

Weight, g/mol:

576.283552

ΔHf, kcal/mol:

-262.41

Dipole, Da:

9.47

IP(EA), eV:

 -9.43(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 6-(1-benzyl-2-oxopiperidin-3-yl)-7-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-oxo-3-phenyl-1,3,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-6-carboxylate

Drug info:

PubChemData

Smile

CC(CC1=CC=CC=C1)(C(=O)NCC(C2=CC=CC=C2)NC(=O)CCC(=O)O)NC(=O)OC3C4CC5CC(C4)CC3C5

DOS

IR

Vibrations