Geometry & MOs

Info

ID:

94187

PubChem CID:

49998938

Reduced:

N6O6C33H46 (1)

Stoich.:

A6B6C33D46 (1)

Weight, g/mol:

569.276883

ΔHf, kcal/mol:

-256.85

Dipole, Da:

3.47

IP(EA), eV:

 -8.16(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)OC)NC(=O)C(C)C

DOS

IR

Vibrations