Geometry & MOs

Info

ID:	34956
PubChem CID:	7979131
Reduced:	FNSO4H20C21 (1)
Stoich.:	ABCD4E20F21 (1)
Weight, g/mol:	401.109707
ΔH_f, kcal/mol:	-161.72
Dipole, Da:	2.4
IP(EA), eV:	-9.08(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-fluoro-4-methoxyphenyl)methyl (3S,7aR)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)COC(=O)[C@@H]2CS[C@@]3(N2C(=O)CC3)C4=CC=CC=C4)F

DOS

IR

Vibrations