Geometry & MOs

Info

ID:

111806

PubChem CID:

50381700

Reduced:

ClO5N6C32H41 (1)

Stoich.:

AB5C6D32E41 (1)

Weight, g/mol:

694.324561

ΔHf, kcal/mol:

-212.23

Dipole, Da:

6.98

IP(EA), eV:

 -8.83(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-chloro-4-(morpholine-4-carbonyl)anilino]-3-oxopropyl]-1-[2-[2-methyl-3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)C(=O)N)Cl)C

DOS

IR

Vibrations