Geometry & MOs

Info

ID:

95438

PubChem CID:

50009326

Reduced:

N6O6C37H52 (1)

Stoich.:

A6B6C37D52 (1)

Weight, g/mol:

636.363533

ΔHf, kcal/mol:

-267.33

Dipole, Da:

9.55

IP(EA), eV:

 -8.79(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-methoxy-3-(2-methylbutanoylamino)anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)OC)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC)C

DOS

IR

Vibrations