Geometry & MOs

Info

ID:

107540

PubChem CID:

50207818

Reduced:

F3O5N6C40H41 (1)

Stoich.:

A3B5C6D40E41 (1)

Weight, g/mol:

631.409755

ΔHf, kcal/mol:

-272.48

Dipole, Da:

8.8

IP(EA), eV:

 -9.0(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-ethylanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-4-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC(=C4C)C(=O)NC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations