Geometry & MOs

Info

ID:

116751

PubChem CID:

50574000

Reduced:

ClO5N6C37H43 (1)

Stoich.:

AB5C6D37E43 (1)

Weight, g/mol:

696.340211

ΔHf, kcal/mol:

-175.52

Dipole, Da:

7.73

IP(EA), eV:

 -8.8(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[5-(butan-2-ylcarbamoyl)-2-methoxyanilino]-2-oxoethyl]-1-[1-[4-chloro-3-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5)Cl

DOS

IR

Vibrations