Geometry & MOs

Info

ID:

111044

PubChem CID:

50349600

Reduced:

FO5N6C40H51 (1)

Stoich.:

AB5C6D40E51 (1)

Weight, g/mol:

708.399919

ΔHf, kcal/mol:

-251.98

Dipole, Da:

4.75

IP(EA), eV:

 -8.8(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methyl-1-[4-[(2-methylbenzoyl)amino]anilino]-1-oxobutan-2-yl]-1-[2-[2-methyl-3-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2F)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NCC(C)C

DOS

IR

Vibrations