Geometry & MOs

Info

ID:

81749

PubChem CID:

49855090

Reduced:

FSN6O9C26H39 (1)

Stoich.:

ABC6D9E26F39 (1)

Weight, g/mol:

413.188546

ΔHf, kcal/mol:

-360.38

Dipole, Da:

7.05

IP(EA), eV:

 -9.69(-1.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-3,3-dimethyl-1-N-[4-methyl-5-[2-(1-methylcyclopropyl)pyridin-4-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CC(=O)O.CN1CCCC1.CO/N=C/1\CN(CC1CN)C2=C(C=C3C(=O)C(=CN(C3=N2)C4CC4)C(=O)O)F.CS(=O)(=O)O

DOS

IR

Vibrations