Geometry & MOs

Info

ID:

96878

PubChem CID:

50025515

Reduced:

O5N6C41H60 (1)

Stoich.:

A5B6C41D60 (1)

Weight, g/mol:

634.384269

ΔHf, kcal/mol:

-252.02

Dipole, Da:

8.45

IP(EA), eV:

 -8.85(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-methyl-1-[2-methyl-4-(methylcarbamoyl)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=C(C=C3)C(=O)NC4CCCCC4C)C

DOS

IR

Vibrations