Geometry & MOs

Info

ID:

110941

PubChem CID:

50344854

Reduced:

N6O6C35H48 (1)

Stoich.:

A6B6C35D48 (1)

Weight, g/mol:

646.347883

ΔHf, kcal/mol:

-257.29

Dipole, Da:

6.34

IP(EA), eV:

 -8.36(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[2-methyl-3-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[3-(morpholine-4-carbonyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)OC)NC(=O)C(C)C)C

DOS

IR

Vibrations