Geometry & MOs

Info

ID:

105616

PubChem CID:

50130623

Reduced:

O5N6C33H44 (1)

Stoich.:

A5B6C33D44 (1)

Weight, g/mol:

597.308183

ΔHf, kcal/mol:

-212.32

Dipole, Da:

5.84

IP(EA), eV:

 -8.89(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-chloro-4-methylanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-4-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=C(C=C4)C(=O)N)C

DOS

IR

Vibrations