Geometry & MOs

Info

ID:

109797

PubChem CID:

50297753

Reduced:

O5N6C34H46 (1)

Stoich.:

A5B6C34D46 (1)

Weight, g/mol:

632.368619

ΔHf, kcal/mol:

-216.89

Dipole, Da:

7.01

IP(EA), eV:

 -8.84(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCCC2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)N

DOS

IR

Vibrations