Geometry & MOs

Info

ID:

103090

PubChem CID:

50070404

Reduced:

ClFO5N6C40H48 (1)

Stoich.:

ABC5D6E40F48 (1)

Weight, g/mol:

732.320224

ΔHf, kcal/mol:

-238.7

Dipole, Da:

5.19

IP(EA), eV:

 -8.89(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-2-(cyclopentylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[5-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=C(C=C5)F)C

DOS

IR

Vibrations