Geometry & MOs

Info

ID:

111340

PubChem CID:

50362583

Reduced:

F2O5N6C39H44 (1)

Stoich.:

A2B5C6D39E44 (1)

Weight, g/mol:

696.343547

ΔHf, kcal/mol:

-259.37

Dipole, Da:

7.09

IP(EA), eV:

 -9.13(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(2-fluorophenyl)carbamoyl]-2-methylphenyl]-1-[1-[2-[2-methyl-3-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)N5CCCC5)C(=O)NC6=CC(=C(C=C6)F)F

DOS

IR

Vibrations