Geometry & MOs

Info

ID:

101100

PubChem CID:

50064357

Reduced:

F2N5O5C35H39 (1)

Stoich.:

A2B5C5D35E39 (1)

Weight, g/mol:

631.297011

ΔHf, kcal/mol:

-259.38

Dipole, Da:

10.27

IP(EA), eV:

 -8.3(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-(4-ethylphenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC(=C(C=C5)F)F)C

DOS

IR

Vibrations