Geometry & MOs

Info

ID:

109550

PubChem CID:

50287731

Reduced:

ClFO5N6C38H38 (1)

Stoich.:

ABC5D6E38F38 (1)

Weight, g/mol:

618.260211

ΔHf, kcal/mol:

-194.36

Dipole, Da:

13.31

IP(EA), eV:

 -8.78(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(5-carbamoyl-2-methoxyanilino)-2-oxoethyl]-1-[2-[4-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C=C(C=C2)NC(=O)CNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC(=CC=C5)F)C)Cl

DOS

IR

Vibrations