Geometry & MOs

Info

ID:

99970

PubChem CID:

50056675

Reduced:

F2O5N6C41H48 (1)

Stoich.:

A2B5C6D41E48 (1)

Weight, g/mol:

688.318475

ΔHf, kcal/mol:

-274.81

Dipole, Da:

11.97

IP(EA), eV:

 -8.71(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-(cyclopentylcarbamoyl)anilino]-3-oxopropyl]-1-[2-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=C(C=C5)C(=O)NC6CCCCC6)C

DOS

IR

Vibrations