Geometry & MOs

Info

ID:

109933

PubChem CID:

50302080

Reduced:

F2O4N5C37H37 (1)

Stoich.:

A2B4C5D37E37 (1)

Weight, g/mol:

632.368619

ΔHf, kcal/mol:

-197.26

Dipole, Da:

8.92

IP(EA), eV:

 -8.69(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NC4=CC(=C(C=C4)C)F)C)NC(=O)C5=CC=CC=C5F

DOS

IR

Vibrations