Geometry & MOs

Info

ID:

112278

PubChem CID:

50400284

Reduced:

FO5N6C34H39 (1)

Stoich.:

AB5C6D34E39 (1)

Weight, g/mol:

614.18523

ΔHf, kcal/mol:

-223.97

Dipole, Da:

4.23

IP(EA), eV:

 -8.74(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)NC(=O)C2=CC=CC=C2NC(=O)C(C)NC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)NC

DOS

IR

Vibrations