Geometry & MOs

Info

ID:

112509

PubChem CID:

50409496

Reduced:

FO5N6C44H57 (1)

Stoich.:

AB5C6D44E57 (1)

Weight, g/mol:

683.244138

ΔHf, kcal/mol:

-262.56

Dipole, Da:

9.02

IP(EA), eV:

 -8.91(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2,4-dichloroanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[3-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NCC5=CC=C(C=C5)F)C

DOS

IR

Vibrations