Geometry & MOs

Info

ID:

95229

PubChem CID:

50007362

Reduced:

SO4N7C30H45 (1)

Stoich.:

AB4C7D30E45 (1)

Weight, g/mol:

591.378455

ΔHf, kcal/mol:

-159.55

Dipole, Da:

6.76

IP(EA), eV:

 -9.23(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-methyl-1-oxo-1-(1-phenylethylamino)butan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC(C)CC)C

DOS

IR

Vibrations