Geometry & MOs

Info

ID:

105904

PubChem CID:

50141974

Reduced:

O5N6C37H52 (1)

Stoich.:

A5B6C37D52 (1)

Weight, g/mol:

578.321668

ΔHf, kcal/mol:

-233.09

Dipole, Da:

8.36

IP(EA), eV:

 -8.87(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-4-(propylcarbamoyl)anilino]-2-oxoethyl]-N-[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NCC(C)C)C)C

DOS

IR

Vibrations