Geometry & MOs

Info

ID:

417585

PubChem CID:

135102128

Reduced:

N7O7C36H51 (1)

Stoich.:

A7B7C36D51 (1)

Weight, g/mol:

378.226705

ΔHf, kcal/mol:

-297.65

Dipole, Da:

7.16

IP(EA), eV:

 -8.8(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-ethoxy-1-[4-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2C[C@@H](C[C@H]2C(=O)NCCCC[C@@H](C(=O)N1)NC(=O)C3CCC3)O)CC(C)C)CC4=CNC5=CC=CC=C54

DOS

IR

Vibrations