Geometry & MOs

Info

ID:

120534

PubChem CID:

50731929

Reduced:

O5N6C37H46 (1)

Stoich.:

A5B6C37D46 (1)

Weight, g/mol:

640.337319

ΔHf, kcal/mol:

-175.52

Dipole, Da:

12.82

IP(EA), eV:

 -8.66(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-benzamidoanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[2-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC=C4C(=O)N(C)C

DOS

IR

Vibrations