Geometry & MOs

Info

ID:

115850

PubChem CID:

50536498

Reduced:

ClN5O6C31H40 (1)

Stoich.:

AB5C6D31E40 (1)

Weight, g/mol:

615.282362

ΔHf, kcal/mol:

-243.27

Dipole, Da:

5.03

IP(EA), eV:

 -8.36(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC4=C(C=C3)OCCO4)Cl

DOS

IR

Vibrations