Geometry & MOs

Info

ID:

105838

PubChem CID:

50139724

Reduced:

O5N6C39H54 (1)

Stoich.:

A5B6C39D54 (1)

Weight, g/mol:

701.23435

ΔHf, kcal/mol:

-236.86

Dipole, Da:

11.68

IP(EA), eV:

 -8.83(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-bromo-3-chloroanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-4-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCCC2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)N5CCCC5)C

DOS

IR

Vibrations