Geometry & MOs

Info

ID:

108979

PubChem CID:

50267040

Reduced:

F2O4N5C37H37 (1)

Stoich.:

A2B4C5D37E37 (1)

Weight, g/mol:

736.295152

ΔHf, kcal/mol:

-195.51

Dipole, Da:

6.56

IP(EA), eV:

 -8.71(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC=C(C=C5)F)C

DOS

IR

Vibrations