Geometry & MOs

Info

ID:	34792
PubChem CID:	7978941
Reduced:	FSO2N3C17H18 (1)
Stoich.:	ABC2D3E17F18 (1)
Weight, g/mol:	348.114378
ΔH_f, kcal/mol:	-43.32
Dipole, Da:	4.41
IP(EA), eV:	-8.73(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C(=S)NCC1=CC=CC=C1)NC(=O)COC2=CC=CC=C2F

DOS

IR

Vibrations