Geometry & MOs

Info

ID:

120271

PubChem CID:

50720656

Reduced:

Cl2O5N6C36H42 (1)

Stoich.:

A2B5C6D36E42 (1)

Weight, g/mol:

724.17756

ΔHf, kcal/mol:

-191.45

Dipole, Da:

10.63

IP(EA), eV:

 -8.8(-0.9)

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-[1-[2-chloro-5-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4)Cl)Cl

DOS

IR

Vibrations