Geometry & MOs

Info

ID:

106232

PubChem CID:

50153864

Reduced:

F2O5N6C39H44 (1)

Stoich.:

A2B5C6D39E44 (1)

Weight, g/mol:

710.359197

ΔHf, kcal/mol:

-255.05

Dipole, Da:

3.41

IP(EA), eV:

 -8.96(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]-1-[1-[1-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC=C5C(=O)NC6=C(C=CC=C6F)F

DOS

IR

Vibrations