Geometry & MOs

Info

ID:

112634

PubChem CID:

50414014

Reduced:

F2O5N6C35H38 (1)

Stoich.:

A2B5C6D35E38 (1)

Weight, g/mol:

606.352969

ΔHf, kcal/mol:

-255.61

Dipole, Da:

8.21

IP(EA), eV:

 -8.96(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=C(C=C4)C(=O)NC5=C(C=C(C=C5)F)F)C(=O)NC

DOS

IR

Vibrations