Geometry & MOs

Info

ID:

90444

PubChem CID:

49969777

Reduced:

FO5N6C42H53 (1)

Stoich.:

AB5C6D42E53 (1)

Weight, g/mol:

694.360946

ΔHf, kcal/mol:

-252.09

Dipole, Da:

9.86

IP(EA), eV:

 -8.83(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-3-(propan-2-ylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC(=C4C)C(=O)NC5=CC(=C(C=C5)C)F

DOS

IR

Vibrations