Geometry & MOs

Info

ID:

105514

PubChem CID:

50111144

Reduced:

O5N6C29H38 (1)

Stoich.:

A5B6C29D38 (1)

Weight, g/mol:

592.337319

ΔHf, kcal/mol:

-188.35

Dipole, Da:

3.54

IP(EA), eV:

 -8.92(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[2-methyl-6-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)N(C)C)C

DOS

IR

Vibrations