Geometry & MOs

Info

ID:

96944

PubChem CID:

50026217

Reduced:

N6O6C41H46 (1)

Stoich.:

A6B6C41D46 (1)

Weight, g/mol:

641.25958

ΔHf, kcal/mol:

-168.62

Dipole, Da:

3.55

IP(EA), eV:

 -8.67(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=CC=C5)OC

DOS

IR

Vibrations