Geometry & MOs

Info

ID:

98954

PubChem CID:

50047605

Reduced:

ClFO5N6C37H44 (1)

Stoich.:

ABC5D6E37F44 (1)

Weight, g/mol:

692.288924

ΔHf, kcal/mol:

-250.8

Dipole, Da:

10.51

IP(EA), eV:

 -8.71(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=C(C=C4)F)C)C

DOS

IR

Vibrations