Geometry & MOs

Info

ID:

108699

PubChem CID:

50254904

Reduced:

ClF2O4N5H34C36 (1)

Stoich.:

AB2C4D5E34F36 (1)

Weight, g/mol:

700.313996

ΔHf, kcal/mol:

-186.85

Dipole, Da:

5.0

IP(EA), eV:

 -8.81(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-chloro-4-(cyclohexanecarbonylamino)anilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-4-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)C(=O)NC5=CC=CC=C5)Cl

DOS

IR

Vibrations