Geometry & MOs

Info

ID:

110518

PubChem CID:

50328401

Reduced:

O4N5C27H35 (1)

Stoich.:

A4B5C27D35 (1)

Weight, g/mol:

599.21072

ΔHf, kcal/mol:

-168.81

Dipole, Da:

3.6

IP(EA), eV:

 -8.54(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-1-[1-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)N

DOS

IR

Vibrations