Geometry & MOs

Info

ID:

115251

PubChem CID:

50515253

Reduced:

FO5N6C40H47 (1)

Stoich.:

AB5C6D40E47 (1)

Weight, g/mol:

712.257624

ΔHf, kcal/mol:

-222.82

Dipole, Da:

6.94

IP(EA), eV:

 -8.79(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-[(2-chlorobenzoyl)amino]anilino]-2-oxoethyl]-1-[1-[3-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC=C5C(=O)N6CCCC6)C)F

DOS

IR

Vibrations