Geometry & MOs

Info

ID:

111200

PubChem CID:

50356884

Reduced:

O5N6C38H52 (1)

Stoich.:

A5B6C38D52 (1)

Weight, g/mol:

696.363533

ΔHf, kcal/mol:

-222.88

Dipole, Da:

6.66

IP(EA), eV:

 -8.72(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-[(3-methoxybenzoyl)amino]anilino]-2-oxoethyl]-1-[1-[2-methyl-3-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=CC(=C3)C(=O)NC4CCCC4)C(=O)N5CCCCC5

DOS

IR

Vibrations