Geometry & MOs

Info

ID:

90613

PubChem CID:

49970724

Reduced:

N5O5C33H45 (1)

Stoich.:

A5B5C33D45 (1)

Weight, g/mol:

561.331505

ΔHf, kcal/mol:

-201.81

Dipole, Da:

10.67

IP(EA), eV:

 -8.68(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3-methylanilino)-2-oxoethyl]-1-[1-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)N4CCC(CC4)C)C

DOS

IR

Vibrations