Geometry & MOs

Info

ID:	35156
PubChem CID:	7979395
Reduced:	FNSO4H18C21 (1)
Stoich.:	ABCD4E18F21 (1)
Weight, g/mol:	390.124943
ΔH_f, kcal/mol:	-154.26
Dipole, Da:	0.34
IP(EA), eV:	-9.14(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-morpholin-4-yl-2-oxoethyl) (3R,7aS)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Drug info:

PubChemData

Smile

C1C[C@@]2(N(C1=O)[C@H](CS2)C(=O)OCC(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4

DOS

IR

Vibrations