Geometry & MOs

Info

ID:

99119

PubChem CID:

50048481

Reduced:

F2O5N6C36H42 (1)

Stoich.:

A2B5C6D36E42 (1)

Weight, g/mol:

738.334125

ΔHf, kcal/mol:

-279.63

Dipole, Da:

5.85

IP(EA), eV:

 -8.79(-0.49)

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-[1-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=CC(=C1)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=CC(=C4)F)C)C)F

DOS

IR

Vibrations