Geometry & MOs

Info

ID:

105651

PubChem CID:

50135554

Reduced:

F2O5N6C36H42 (1)

Stoich.:

A2B5C6D36E42 (1)

Weight, g/mol:

722.392247

ΔHf, kcal/mol:

-274.04

Dipole, Da:

15.55

IP(EA), eV:

 -8.95(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-chloro-5-(2-methylbutanoylamino)anilino]-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

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

DOS

IR

Vibrations