Geometry & MOs

Info

ID:

415740

PubChem CID:

135088740

Reduced:

ClN6O7C39H51 (1)

Stoich.:

AB6C7D39E51 (1)

Weight, g/mol:

330.157957

ΔHf, kcal/mol:

-240.51

Dipole, Da:

9.79

IP(EA), eV:

 -9.15(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

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(CCC3)C4=CC=C(C=C4)Cl)CC5=CC=CC=C5)[C@@H](C)O

DOS

IR

Vibrations