Geometry & MOs

Info

ID:

115266

PubChem CID:

50516118

Reduced:

ClN5O6C27H34 (1)

Stoich.:

AB5C6D27E34 (1)

Weight, g/mol:

535.176851

ΔHf, kcal/mol:

-213.66

Dipole, Da:

3.8

IP(EA), eV:

 -8.83(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)OC)OC)Cl

DOS

IR

Vibrations