Geometry & MOs

Info

ID:

98191

PubChem CID:

50040655

Reduced:

FO4N5C33H38 (1)

Stoich.:

AB4C5D33E38 (1)

Weight, g/mol:

709.20752

ΔHf, kcal/mol:

-179.13

Dipole, Da:

7.9

IP(EA), eV:

 -8.74(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-bromo-2-methylphenyl)-1-[1-[1-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC(=C4)C(=O)NC(C)C

DOS

IR

Vibrations