Geometry & MOs

Info

ID:

120143

PubChem CID:

50715649

Reduced:

ClN5O6C32H36 (1)

Stoich.:

AB5C6D32E36 (1)

Weight, g/mol:

611.208151

ΔHf, kcal/mol:

-199.17

Dipole, Da:

7.54

IP(EA), eV:

 -8.3(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-oxo-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)Cl)N3CCC(CC3)C(=O)NCC(=O)NC4=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations