Geometry & MOs

Info

ID:	35080
PubChem CID:	7979282
Reduced:	S2N3O3C17H19 (1)
Stoich.:	A2B3C3D17E19 (1)
Weight, g/mol:	371.099143
ΔH_f, kcal/mol:	-66.98
Dipole, Da:	5.19
IP(EA), eV:	-8.44(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CSCC(=O)NNC(=O)C2=CC=CS2)C

DOS

IR

Vibrations