Geometry & MOs

Info

ID:

99078

PubChem CID:

50048138

Reduced:

FN5O5C35H40 (1)

Stoich.:

AB5C5D35E40 (1)

Weight, g/mol:

669.276276

ΔHf, kcal/mol:

-207.93

Dipole, Da:

8.66

IP(EA), eV:

 -8.45(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC=C5OC

DOS

IR

Vibrations