Geometry & MOs

Info

ID:	35046
PubChem CID:	7979230
Reduced:	SN3O4C21H27 (1)
Stoich.:	AB3C4D21E27 (1)
Weight, g/mol:	374.130028
ΔH_f, kcal/mol:	-133.23
Dipole, Da:	4.79
IP(EA), eV:	-9.36(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (3R,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)C(=O)NNC(=O)[C@@H](CC(C)C)NS(=O)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations