Geometry & MOs

Info

ID:

90271

PubChem CID:

49968123

Reduced:

N5O6C33H45 (1)

Stoich.:

A5B6C33D45 (1)

Weight, g/mol:

597.309724

ΔHf, kcal/mol:

-239.2

Dipole, Da:

7.32

IP(EA), eV:

 -8.39(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-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

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations