Geometry & MOs

Info

ID:

105926

PubChem CID:

50142951

Reduced:

ClO5N6C38H47 (1)

Stoich.:

AB5C6D38E47 (1)

Weight, g/mol:

648.399919

ΔHf, kcal/mol:

-194.24

Dipole, Da:

8.54

IP(EA), eV:

 -8.55(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methyl-1-[4-(2-methylbutanoylamino)anilino]-1-oxobutan-2-yl]-1-[2-[2-methyl-4-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC(C)C)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations