Geometry & MOs

Info

ID:	35084
PubChem CID:	7979288
Reduced:	FS2N3O4C16H18 (1)
Stoich.:	AB2C3D4E16F18 (1)
Weight, g/mol:	378.103814
ΔH_f, kcal/mol:	-140.94
Dipole, Da:	2.81
IP(EA), eV:	-9.55(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)F)C(=O)NNC(=O)C2=CC=CS2

DOS

IR

Vibrations