Geometry & MOs

Info

ID:

115703

PubChem CID:

50531804

Reduced:

Cl2F3O4N5C31H36 (1)

Stoich.:

A2B3C4D5E31F36 (1)

Weight, g/mol:

718.304574

ΔHf, kcal/mol:

-328.05

Dipole, Da:

10.79

IP(EA), eV:

 -8.94(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-chloro-4-(cyclopentylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[2-[3-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl)Cl

DOS

IR

Vibrations