Geometry & MOs

Info

ID:

92861

PubChem CID:

49990204

Reduced:

FO5N6C41H57 (1)

Stoich.:

AB5C6D41E57 (1)

Weight, g/mol:

756.376597

ΔHf, kcal/mol:

-288.63

Dipole, Da:

9.45

IP(EA), eV:

 -8.82(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)F)NC(=O)C5CCCCC5

DOS

IR

Vibrations