Geometry & MOs

Info

ID:

90368

PubChem CID:

49968992

Reduced:

Cl2O4N5C33H41 (1)

Stoich.:

A2B4C5D33E41 (1)

Weight, g/mol:

722.415569

ΔHf, kcal/mol:

-181.5

Dipole, Da:

10.05

IP(EA), eV:

 -8.86(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methyl-1-[2-[(2-methylphenyl)carbamoyl]anilino]-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)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=C(C=C5)Cl)Cl

DOS

IR

Vibrations