Geometry & MOs

Info

ID:

117666

PubChem CID:

50609802

Reduced:

ClO5N6C41H49 (1)

Stoich.:

AB5C6D41E49 (1)

Weight, g/mol:

590.181124

ΔHf, kcal/mol:

-187.72

Dipole, Da:

7.04

IP(EA), eV:

 -8.64(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(5-carbamoyl-2-chloroanilino)-2-oxoethyl]-N-[1-[3-chloro-4-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC=CC(=C2NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=CC(=C(C=C5)Cl)C(=O)NC6=CC=CC=C6)C

DOS

IR

Vibrations