Geometry & MOs

Info

ID:

106205

PubChem CID:

50152568

Reduced:

O5N6C40H54 (1)

Stoich.:

A5B6C40D54 (1)

Weight, g/mol:

672.343547

ΔHf, kcal/mol:

-209.75

Dipole, Da:

4.77

IP(EA), eV:

 -8.83(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-[(4-fluorophenyl)carbamoyl]anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-4-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC=CC(=C2NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=C(C=C5)C(=O)N6CCCC6)C)C

DOS

IR

Vibrations