Geometry & MOs

Info

ID:	35133
PubChem CID:	7979365
Reduced:	NF3O5H18C20 (1)
Stoich.:	AB3C5D18E20 (1)
Weight, g/mol:	361.134779
ΔH_f, kcal/mol:	-301.25
Dipole, Da:	7.82
IP(EA), eV:	-8.88(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,3-dimethyl-2-oxobutyl) (3R,7aR)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)/C=C/C(=O)OCC(=O)NC2=CC=CC(=C2)C(F)(F)F

DOS

IR

Vibrations