Geometry & MOs

Info

ID:

106810

PubChem CID:

50177146

Reduced:

O4N5C37H53 (1)

Stoich.:

A4B5C37D53 (1)

Weight, g/mol:

637.339483

ΔHf, kcal/mol:

-200.16

Dipole, Da:

4.72

IP(EA), eV:

 -8.57(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(5-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[4-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC=C4C(C)C

DOS

IR

Vibrations