Geometry & MOs

Info

ID:

99575

PubChem CID:

50051745

Reduced:

F2N5O5C38H39 (1)

Stoich.:

A2B5C5D38E39 (1)

Weight, g/mol:

683.291926

ΔHf, kcal/mol:

-224.75

Dipole, Da:

8.67

IP(EA), eV:

 -8.7(-0.62)

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-[5-[(3-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)C(C)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=C(C=C5)F)OC

DOS

IR

Vibrations