Geometry & MOs

Info

ID:

99999

PubChem CID:

50057069

Reduced:

F2O4N5H33C35 (1)

Stoich.:

A2B4C5D33E35 (1)

Weight, g/mol:

658.327897

ΔHf, kcal/mol:

-175.46

Dipole, Da:

11.07

IP(EA), eV:

 -8.67(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[2-methyl-4-(methylcarbamoyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=C(C=C4)C(=O)NC5=C(C=CC(=C5)F)F

DOS

IR

Vibrations