Geometry & MOs

Info

ID:

90417

PubChem CID:

49969588

Reduced:

O5N6C39H56 (1)

Stoich.:

A5B6C39D56 (1)

Weight, g/mol:

744.381075

ΔHf, kcal/mol:

-241.1

Dipole, Da:

9.26

IP(EA), eV:

 -8.86(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-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

CCN(CC)C(=O)C1=CC(=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N4CCC(CC4)C)C)C

DOS

IR

Vibrations