Geometry & MOs

Info

ID:

106881

PubChem CID:

50180236

Reduced:

ClO5N6C42H53 (1)

Stoich.:

AB5C6D42E53 (1)

Weight, g/mol:

680.308911

ΔHf, kcal/mol:

-212.0

Dipole, Da:

7.11

IP(EA), eV:

 -8.61(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC4CCCCC4)C)NC(=O)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations