Geometry & MOs

Info

ID:

90464

PubChem CID:

49969864

Reduced:

F3O4N5C34H44 (1)

Stoich.:

A3B4C5D34E44 (1)

Weight, g/mol:

611.325374

ΔHf, kcal/mol:

-333.2

Dipole, Da:

6.08

IP(EA), eV:

 -8.93(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]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)C)C(=O)NC4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations