Geometry & MOs

Info

ID:

108320

PubChem CID:

50241015

Reduced:

Cl2F2O4N5C33H35 (1)

Stoich.:

A2B2C4D5E33F35 (1)

Weight, g/mol:

698.359197

ΔHf, kcal/mol:

-231.16

Dipole, Da:

8.56

IP(EA), eV:

 -9.05(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]-1-[1-[4-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations