Geometry & MOs

Info

ID:

111403

PubChem CID:

50365329

Reduced:

ClO5N6C42H53 (1)

Stoich.:

AB5C6D42E53 (1)

Weight, g/mol:

684.343547

ΔHf, kcal/mol:

-208.49

Dipole, Da:

4.52

IP(EA), eV:

 -8.8(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(5-benzamido-2-fluoroanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-3-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)NC(=O)C5=CC=CC=C5C)Cl)C

DOS

IR

Vibrations