Geometry & MOs

Info

ID:

95430

PubChem CID:

50009292

Reduced:

N6O6C37H46 (1)

Stoich.:

A6B6C37D46 (1)

Weight, g/mol:

608.332233

ΔHf, kcal/mol:

-212.33

Dipole, Da:

5.55

IP(EA), eV:

 -8.82(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC)C)OC

DOS

IR

Vibrations