Geometry & MOs

Info

ID:

107132

PubChem CID:

50191030

Reduced:

F3O4N5H36C37 (1)

Stoich.:

A3B4C5D36E37 (1)

Weight, g/mol:

645.312661

ΔHf, kcal/mol:

-236.03

Dipole, Da:

5.84

IP(EA), eV:

 -8.96(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(cyclohexanecarbonylamino)phenyl]-1-[1-[4-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC(=C4)NC(=O)CC5=CC=C(C=C5)F

DOS

IR

Vibrations