Geometry & MOs

Info

ID:

112106

PubChem CID:

50394989

Reduced:

FN5O5C35H40 (1)

Stoich.:

AB5C5D35E40 (1)

Weight, g/mol:

722.392247

ΔHf, kcal/mol:

-203.79

Dipole, Da:

5.74

IP(EA), eV:

 -9.08(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=CC=C3C(=O)N4CCOCC4)C(=O)NCC5=CC=C(C=C5)F

DOS

IR

Vibrations