Geometry & MOs

Info

ID:

444727

PubChem CID:

135263383

Reduced:

SO4N6C29H38 (1)

Stoich.:

AB4C6D29E38 (1)

Weight, g/mol:

600.367556

ΔHf, kcal/mol:

-96.06

Dipole, Da:

4.96

IP(EA), eV:

 -8.49(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-[4-methyl-3-[2-[[(5-methylfuran-2-yl)-(4-methyl-2-piperidin-1-ylphenyl)methyl]amino]-2-oxoethyl]phenyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=CC=C(O2)C)NC(=O)CC3=CN=C(N=C3)N4CCN(CC4)S(=O)(=O)C)N5CCCCC5

DOS

IR

Vibrations