Geometry & MOs

Info

ID:

420207

PubChem CID:

135111834

Reduced:

N6O8C35H46 (1)

Stoich.:

A6B8C35D46 (1)

Weight, g/mol:

328.178693

ΔHf, kcal/mol:

-314.04

Dipole, Da:

5.82

IP(EA), eV:

 -8.84(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2,5-dimethylphenyl)-1-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N(CC(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N1)C(C)C)NC(=O)CCC2=CC3=C(C=C2)OCO3)C)CC4=CC=CC=C4

DOS

IR

Vibrations