Geometry & MOs

Info

ID:

111818

PubChem CID:

50382379

Reduced:

ClN5O5C34H38 (1)

Stoich.:

AB5C5D34E38 (1)

Weight, g/mol:

690.410483

ΔHf, kcal/mol:

-162.64

Dipole, Da:

3.62

IP(EA), eV:

 -8.8(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[3-methoxy-4-(2-methylpropanoylamino)anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)Cl)NC(=O)C4=CC=CC=C4)C(=O)N5CCOCC5

DOS

IR

Vibrations