Geometry & MOs

Info

ID:

108007

PubChem CID:

50226581

Reduced:

F2O5N6C35H38 (1)

Stoich.:

A2B5C6D35E38 (1)

Weight, g/mol:

702.334125

ΔHf, kcal/mol:

-251.82

Dipole, Da:

7.17

IP(EA), eV:

 -9.04(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(diethylcarbamoyl)phenyl]-1-[1-[2-[4-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC=C5C(=O)NC

DOS

IR

Vibrations