Geometry & MOs

Info

ID:

94838

PubChem CID:

50004199

Reduced:

SO4N7C27H39 (1)

Stoich.:

AB4C7D27E39 (1)

Weight, g/mol:

646.384269

ΔHf, kcal/mol:

-152.06

Dipole, Da:

3.71

IP(EA), eV:

 -8.95(-0.77)

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-[2-[3-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations