Geometry & MOs

Info

ID:

92197

PubChem CID:

49984063

Reduced:

ClO5N6C40H49 (1)

Stoich.:

AB5C6D40E49 (1)

Weight, g/mol:

632.368619

ΔHf, kcal/mol:

-202.05

Dipole, Da:

6.6

IP(EA), eV:

 -8.3(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-acetamido-4-methylanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[5-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)C)NC(=O)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations