Geometry & MOs

Info

ID:

113280

PubChem CID:

50438286

Reduced:

ClFO5N6C39H46 (1)

Stoich.:

ABC5D6E39F46 (1)

Weight, g/mol:

635.267461

ΔHf, kcal/mol:

-246.87

Dipole, Da:

11.55

IP(EA), eV:

 -8.88(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-chloroanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[3-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)NC5=C(C=CC(=C5)F)C

DOS

IR

Vibrations