Geometry & MOs

Info

ID:	35064
PubChem CID:	7979254
Reduced:	FNSO4H20C22 (1)
Stoich.:	ABCD4E20F22 (1)
Weight, g/mol:	383.119129
ΔH_f, kcal/mol:	-159.15
Dipole, Da:	4.33
IP(EA), eV:	-9.23(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)C1=CC=C(C=C1)F)OC(=O)[C@H]2CS[C@@]3(N2C(=O)CC3)C4=CC=CC=C4

DOS

IR

Vibrations