Geometry & MOs

Info

ID:

104390

PubChem CID:

50104196

Reduced:

F2O5N6C31H32 (1)

Stoich.:

A2B5C6D31E32 (1)

Weight, g/mol:

513.214282

ΔHf, kcal/mol:

-247.76

Dipole, Da:

8.01

IP(EA), eV:

 -8.98(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)NC(=O)C4=CC(=CC=C4)F)F

DOS

IR

Vibrations