Geometry & MOs

Info

ID:

90800

PubChem CID:

49972081

Reduced:

O4N5C36H51 (1)

Stoich.:

A4B5C36D51 (1)

Weight, g/mol:

647.368284

ΔHf, kcal/mol:

-187.61

Dipole, Da:

3.18

IP(EA), eV:

 -8.79(-0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)C)C

DOS

IR

Vibrations