Geometry & MOs

Info

ID:

97487

PubChem CID:

50032098

Reduced:

F4O4N5H33C36 (1)

Stoich.:

A4B4C5D33E36 (1)

Weight, g/mol:

671.271939

ΔHf, kcal/mol:

-269.75

Dipole, Da:

8.47

IP(EA), eV:

 -8.94(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=CC=C5F)F)C

DOS

IR

Vibrations