Geometry & MOs

Info

ID:

112881

PubChem CID:

50424150

Reduced:

F2O5N6C38H46 (1)

Stoich.:

A2B5C6D38E46 (1)

Weight, g/mol:

678.273274

ΔHf, kcal/mol:

-278.79

Dipole, Da:

4.27

IP(EA), eV:

 -8.84(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-chloro-5-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]-1-[2-[3-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=CC=C3C(=O)NC4=C(C=C(C=C4)F)F)C)C

DOS

IR

Vibrations