Geometry & MOs

Info

ID:	35200
PubChem CID:	7979476
Reduced:	SN2O5C18H20 (1)
Stoich.:	AB2C5D18E20 (1)
Weight, g/mol:	410.130028
ΔH_f, kcal/mol:	-144.82
Dipole, Da:	4.24
IP(EA), eV:	-9.12(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(benzylamino)-2-oxoethyl] (3S,7aS)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)NNC(=O)CCS(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations