Geometry & MOs

Info

ID:

111548

PubChem CID:

50372126

Reduced:

O5N6C39H48 (1)

Stoich.:

A5B6C39D48 (1)

Weight, g/mol:

635.368284

ΔHf, kcal/mol:

-188.54

Dipole, Da:

7.65

IP(EA), eV:

 -8.68(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-(2,4-dimethoxyanilino)-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4CCCC4)NC(=O)C5=CC=CC=C5

DOS

IR

Vibrations