Geometry & MOs

Info

ID:

108462

PubChem CID:

50246907

Reduced:

FCl2O3N4C30H31 (1)

Stoich.:

AB2C3D4E30F31 (1)

Weight, g/mol:

669.369033

ΔHf, kcal/mol:

-149.79

Dipole, Da:

8.11

IP(EA), eV:

 -9.18(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=CC(=C4)Cl)Cl

DOS

IR

Vibrations