Geometry & MOs

Info

ID:

106703

PubChem CID:

50173041

Reduced:

O5N6C39H48 (1)

Stoich.:

A5B6C39D48 (1)

Weight, g/mol:

734.392247

ΔHf, kcal/mol:

-183.06

Dipole, Da:

3.06

IP(EA), eV:

 -8.72(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)CNC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)NC5CCCCC5)C

DOS

IR

Vibrations