Geometry & MOs

Info

ID:

112648

PubChem CID:

50414307

Reduced:

ClO5N6C34H47 (1)

Stoich.:

AB5C6D34E47 (1)

Weight, g/mol:

664.394833

ΔHf, kcal/mol:

-232.5

Dipole, Da:

5.42

IP(EA), eV:

 -8.93(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[4-methoxy-3-(2-methylbutanoylamino)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=C(C=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)N(CC)CC)Cl

DOS

IR

Vibrations