Geometry & MOs

Info

ID:

106038

PubChem CID:

50147181

Reduced:

N5O5C36H43 (1)

Stoich.:

A5B5C36D43 (1)

Weight, g/mol:

521.300205

ΔHf, kcal/mol:

-158.96

Dipole, Da:

8.87

IP(EA), eV:

 -8.22(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-methylanilino)-1-oxopropan-2-yl]-1-[2-[2-methyl-4-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=CC=C5)OC)C

DOS

IR

Vibrations