Geometry & MOs

Info

ID:

112564

PubChem CID:

50411761

Reduced:

SO4N7C27H39 (1)

Stoich.:

AB4C7D27E39 (1)

Weight, g/mol:

628.20088

ΔHf, kcal/mol:

-154.07

Dipole, Da:

5.82

IP(EA), eV:

 -8.97(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC(C)CC

DOS

IR

Vibrations