Geometry & MOs

Info

ID:

90803

PubChem CID:

49972097

Reduced:

ClO5N6C41H57 (1)

Stoich.:

AB5C6D41E57 (1)

Weight, g/mol:

736.371511

ΔHf, kcal/mol:

-244.07

Dipole, Da:

8.43

IP(EA), eV:

 -8.78(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-3-(morpholine-4-carbonyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCC(CC5)C

DOS

IR

Vibrations