Geometry & MOs

Info

ID:

107637

PubChem CID:

50212403

Reduced:

O4N5C28H37 (1)

Stoich.:

A4B5C28D37 (1)

Weight, g/mol:

585.19507

ΔHf, kcal/mol:

-161.62

Dipole, Da:

8.52

IP(EA), eV:

 -8.8(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-bromo-2,6-dimethylanilino)-1-oxopropan-2-yl]-1-[2-[2-methyl-4-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NC)C

DOS

IR

Vibrations