Geometry & MOs

Info

ID:

95658

PubChem CID:

50011379

Reduced:

N6O6C29H38 (1)

Stoich.:

A6B6C29D38 (1)

Weight, g/mol:

564.306018

ΔHf, kcal/mol:

-234.59

Dipole, Da:

8.14

IP(EA), eV:

 -8.32(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-oxo-2-[2-(propylcarbamoyl)anilino]ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)NC(=O)C)OC

DOS

IR

Vibrations