Geometry & MOs

Info

ID:

116515

PubChem CID:

50563708

Reduced:

ClO5N6C33H43 (1)

Stoich.:

AB5C6D33E43 (1)

Weight, g/mol:

618.212424

ΔHf, kcal/mol:

-212.93

Dipole, Da:

8.99

IP(EA), eV:

 -8.94(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-2-(diethylcarbamoyl)anilino]-2-oxoethyl]-1-[2-[4-chloro-3-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC(=O)C(C)NC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC)C

DOS

IR

Vibrations