Geometry & MOs

Info

ID:	34852
PubChem CID:	7979012
Reduced:	SN3O3C20H25 (1)
Stoich.:	AB3C3D20E25 (1)
Weight, g/mol:	362.130028
ΔH_f, kcal/mol:	-51.98
Dipole, Da:	4.1
IP(EA), eV:	-8.28(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(propan-2-ylamino)ethyl] (3R,7aS)-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)CCCOC2=CC=C(C=C2)OC

DOS

IR

Vibrations