Geometry & MOs

Info

ID:

91412

PubChem CID:

49975770

Reduced:

ClN6O6C32H41 (1)

Stoich.:

AB6C6D32E41 (1)

Weight, g/mol:

682.288175

ΔHf, kcal/mol:

-239.69

Dipole, Da:

3.85

IP(EA), eV:

 -8.87(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-chloro-2-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=C(C=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N4CCOCC4)C)Cl

DOS

IR

Vibrations