Geometry & MOs

Info

ID:	363005
PubChem CID:	127310026
Reduced:	F3O3N4C16H17 (1)
Stoich.:	A3B3C4D16E17 (1)
Weight, g/mol:	365.102097
ΔH_f, kcal/mol:	-208.19
Dipole, Da:	5.89
IP(EA), eV:	-10.33(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7a-methyl-5-oxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NOC2=C1C=C(C=N2)C(=O)NC3CCN(C3=O)CC(F)(F)F

DOS

IR

Vibrations