Geometry & MOs

Info

ID:

422363

PubChem CID:

135117696

Reduced:

O7N8C34H46 (1)

Stoich.:

A7B8C34D46 (1)

Weight, g/mol:

296.173607

ΔHf, kcal/mol:

-261.24

Dipole, Da:

10.74

IP(EA), eV:

 -9.62(-1.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-ethoxy-1-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)NCCCC[C@@H](C(=O)N1)NC(=O)C3=NC=C(N=C3)C)CC4=CC=CC=C4)[C@@H](C)O

DOS

IR

Vibrations