Geometry & MOs

Info

ID:

117839

PubChem CID:

50617648

Reduced:

ClN6O6C40H43 (1)

Stoich.:

AB6C6D40E43 (1)

Weight, g/mol:

505.12836

ΔHf, kcal/mol:

-190.9

Dipole, Da:

10.16

IP(EA), eV:

 -8.35(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-(5-carbamoyl-2-chloroanilino)-1-oxopropan-2-yl]-N-(5-carbamoyl-2-chlorophenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5=CC=CC=C5C)OC

DOS

IR

Vibrations