Geometry & MOs

Info

ID:

111114

PubChem CID:

50352467

Reduced:

O5N6C40H56 (1)

Stoich.:

A5B6C40D56 (1)

Weight, g/mol:

603.265711

ΔHf, kcal/mol:

-243.62

Dipole, Da:

4.9

IP(EA), eV:

 -8.56(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(2,6-difluorophenyl)carbamoyl]phenyl]-1-[2-[2-methyl-3-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2CCCCC2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=CC=CC(=C5C)C(=O)NCC(C)C

DOS

IR

Vibrations