Geometry & MOs

Info

ID:

118284

PubChem CID:

50636956

Reduced:

ClO5N6C40H55 (1)

Stoich.:

AB5C6D40E55 (1)

Weight, g/mol:

748.407897

ΔHf, kcal/mol:

-245.26

Dipole, Da:

6.08

IP(EA), eV:

 -9.01(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-[1-[2-(cyclohexylcarbamoyl)-6-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC=C4C(=O)NC5CCCC5)C

DOS

IR

Vibrations