Geometry & MOs

Info

ID:

106278

PubChem CID:

50155708

Reduced:

ClO5N6C35H49 (1)

Stoich.:

AB5C6D35E49 (1)

Weight, g/mol:

626.298346

ΔHf, kcal/mol:

-246.18

Dipole, Da:

8.36

IP(EA), eV:

 -8.93(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-chloro-4-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-4-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C=C(C=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NCC(C)C)C)Cl

DOS

IR

Vibrations