Geometry & MOs

Info

ID:

105890

PubChem CID:

50140682

Reduced:

FO5N6C39H47 (1)

Stoich.:

AB5C6D39E47 (1)

Weight, g/mol:

680.345296

ΔHf, kcal/mol:

-228.56

Dipole, Da:

8.52

IP(EA), eV:

 -8.56(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC(=CC=C5)F)C

DOS

IR

Vibrations