Geometry & MOs

Info

ID:

102721

PubChem CID:

50069399

Reduced:

O5N6C43H54 (1)

Stoich.:

A5B6C43D54 (1)

Weight, g/mol:

607.23616

ΔHf, kcal/mol:

-192.95

Dipole, Da:

1.09

IP(EA), eV:

 -8.71(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-(propylcarbamoyl)phenyl]-1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC=CC(=C2NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=CC(=C5)C(=O)NC6=CC=CC=C6C)C)C

DOS

IR

Vibrations