Geometry & MOs

Info

ID:

105070

PubChem CID:

50106302

Reduced:

ClO4N5C33H38 (1)

Stoich.:

AB4C5D33E38 (1)

Weight, g/mol:

561.331505

ΔHf, kcal/mol:

-125.61

Dipole, Da:

3.97

IP(EA), eV:

 -8.76(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-methyl-6-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C=C(C=C2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)N(C)C)C)Cl

DOS

IR

Vibrations