Geometry & MOs

Info

ID:

111657

PubChem CID:

50376804

Reduced:

ClO5N6C36H49 (1)

Stoich.:

AB5C6D36E49 (1)

Weight, g/mol:

639.34207

ΔHf, kcal/mol:

-239.17

Dipole, Da:

6.33

IP(EA), eV:

 -9.03(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methoxy-4-[(2-methylbenzoyl)amino]phenyl]-1-[2-[2-methyl-3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)C(=O)NC(C)C)Cl)C(=O)NC4CCCCC4

DOS

IR

Vibrations