Geometry & MOs

Info

ID:	35050
PubChem CID:	7979234
Reduced:	SN3O6C19H21 (1)
Stoich.:	AB3C6D19E21 (1)
Weight, g/mol:	374.130028
ΔH_f, kcal/mol:	-173.69
Dipole, Da:	5.86
IP(EA), eV:	-9.3(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (3S,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)CCNS(=O)(=O)C2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations