Geometry & MOs

Info

ID:

105393

PubChem CID:

50107089

Reduced:

ClO5N6C35H41 (1)

Stoich.:

AB5C6D35E41 (1)

Weight, g/mol:

578.321668

ΔHf, kcal/mol:

-187.61

Dipole, Da:

4.52

IP(EA), eV:

 -8.7(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[3-methyl-1-oxo-1-[2-(propan-2-ylcarbamoyl)anilino]butan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)N)C

DOS

IR

Vibrations