Geometry & MOs

Info

ID:

112754

PubChem CID:

50418196

Reduced:

O5N6C30H40 (1)

Stoich.:

A5B6C30D40 (1)

Weight, g/mol:

535.315855

ΔHf, kcal/mol:

-191.71

Dipole, Da:

8.74

IP(EA), eV:

 -8.84(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-3-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-oxo-3-(4-propan-2-ylanilino)propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC=C(C=C3)C(=O)N(C)C)C(=O)NC

DOS

IR

Vibrations