Geometry & MOs

Info

ID:

113084

PubChem CID:

50431036

Reduced:

F2N6O6C37H42 (1)

Stoich.:

A2B6C6D37E42 (1)

Weight, g/mol:

702.334125

ΔHf, kcal/mol:

-289.56

Dipole, Da:

10.12

IP(EA), eV:

 -9.22(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-(cyclopentylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[1-[3-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC=C3C(=O)N4CCOCC4)C(=O)NC5=C(C=CC(=C5)F)F

DOS

IR

Vibrations