Geometry & MOs

Info

ID:

110257

PubChem CID:

50317719

Reduced:

FO5N6C35H39 (1)

Stoich.:

AB5C6D35E39 (1)

Weight, g/mol:

692.288924

ΔHf, kcal/mol:

-209.87

Dipole, Da:

3.63

IP(EA), eV:

 -8.71(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-chloro-4-(2-methylpropanoylamino)anilino]-2-oxoethyl]-1-[1-[4-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)F)C(=O)N

DOS

IR

Vibrations