Geometry & MOs

Info

ID:

119547

PubChem CID:

50689711

Reduced:

ClN6O6C32H41 (1)

Stoich.:

AB6C6D32E41 (1)

Weight, g/mol:

682.324561

ΔHf, kcal/mol:

-246.18

Dipole, Da:

8.72

IP(EA), eV:

 -8.45(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(piperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[1-[4-methoxy-3-(2-methylbutanoylamino)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)OC)NC(=O)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N4CCCCC4)Cl

DOS

IR

Vibrations