Geometry & MOs

Info

ID:

110399

PubChem CID:

50323168

Reduced:

F4O4N5C36H41 (1)

Stoich.:

A4B4C5D36E41 (1)

Weight, g/mol:

606.352969

ΔHf, kcal/mol:

-355.1

Dipole, Da:

13.96

IP(EA), eV:

 -8.74(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-1-[2-[3-(dimethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations