Geometry & MOs

Info

ID:

120398

PubChem CID:

50725600

Reduced:

ClN5O6C32H44 (1)

Stoich.:

AB5C6D32E44 (1)

Weight, g/mol:

619.270752

ΔHf, kcal/mol:

-247.31

Dipole, Da:

11.3

IP(EA), eV:

 -8.34(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-chloroanilino]-2-oxoethyl]-N-[3-methyl-1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations