Geometry & MOs

Info

ID:

109347

PubChem CID:

50281262

Reduced:

ClO5N6C39H47 (1)

Stoich.:

AB5C6D39E47 (1)

Weight, g/mol:

650.241974

ΔHf, kcal/mol:

-185.8

Dipole, Da:

8.39

IP(EA), eV:

 -8.55(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-1-[2-[4-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=C(C=C2)NC(=O)CNC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC=CC=C5C)C)Cl

DOS

IR

Vibrations