Geometry & MOs

Info

ID:	34850
PubChem CID:	7979009
Reduced:	OSN3C17H19 (1)
Stoich.:	ABC3D17E19 (1)
Weight, g/mol:	362.130028
ΔH_f, kcal/mol:	32.07
Dipole, Da:	6.71
IP(EA), eV:	-8.48(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(propan-2-ylamino)ethyl] (3S,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)CC2=CC=CC=C2

DOS

IR

Vibrations