Geometry & MOs

Info

ID:

114633

PubChem CID:

50490697

Reduced:

ClO4N5C32H36 (1)

Stoich.:

AB4C5D32E36 (1)

Weight, g/mol:

589.245582

ΔHf, kcal/mol:

-139.35

Dipole, Da:

4.13

IP(EA), eV:

 -8.67(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1-[2-[2-methyl-3-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C(=CC=C4)Cl)C)C

DOS

IR

Vibrations