Geometry & MOs

Info

ID:

117493

PubChem CID:

50605069

Reduced:

ClN6O6C37H45 (1)

Stoich.:

AB6C6D37E45 (1)

Weight, g/mol:

643.26921

ΔHf, kcal/mol:

-225.15

Dipole, Da:

8.81

IP(EA), eV:

 -8.14(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(diethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-chloro-5-(3-methylpiperidine-1-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=C(C=C(C=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N(C)C)Cl)OC

DOS

IR

Vibrations