Geometry & MOs

Info

ID:

108738

PubChem CID:

50256486

Reduced:

F2O5N6C41H42 (1)

Stoich.:

A2B5C6D41E42 (1)

Weight, g/mol:

660.282696

ΔHf, kcal/mol:

-220.56

Dipole, Da:

11.22

IP(EA), eV:

 -8.87(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-chloro-4-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]-1-[2-[2-methyl-4-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=C(C=C5)C(=O)NC6=CC=CC=C6)C

DOS

IR

Vibrations