Geometry & MOs

Info

ID:

415763

PubChem CID:

135088763

Reduced:

N6O8C39H44 (1)

Stoich.:

A6B8C39D44 (1)

Weight, g/mol:

410.231791

ΔHf, kcal/mol:

-241.96

Dipole, Da:

5.91

IP(EA), eV:

 -8.37(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidine-1-carbonyl]-2-methylphenyl]cyclopentanecarboxamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@@H](CN(CC(=O)N[C@@H](C(=O)N2C[C@@H](C[C@H]2C(=O)N1)O)CC3=CNC4=CC=CC=C43)C(=O)CC5=CC(=C(C=C5)OC)OC)C6=CC=CC=C6

DOS

IR

Vibrations