Geometry & MOs

Info

ID:

118290

PubChem CID:

50637163

Reduced:

Cl2F3O4N5C29H34 (1)

Stoich.:

A2B3C4D5E29F34 (1)

Weight, g/mol:

730.22451

ΔHf, kcal/mol:

-336.46

Dipole, Da:

3.38

IP(EA), eV:

 -9.32(-0.92)

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-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl

DOS

IR

Vibrations