Geometry & MOs

Info

ID:

108422

PubChem CID:

50244292

Reduced:

F2O4N5C35H39 (1)

Stoich.:

A2B4C5D35E39 (1)

Weight, g/mol:

682.248202

ΔHf, kcal/mol:

-228.55

Dipole, Da:

11.6

IP(EA), eV:

 -8.6(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-chloro-2-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[2-[4-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=C(C=C5)F)C)C

DOS

IR

Vibrations