Geometry & MOs

Info

ID:	35184
PubChem CID:	7979440
Reduced:	S2N3O4C16H19 (1)
Stoich.:	A2B3C4D16E19 (1)
Weight, g/mol:	400.109293
ΔH_f, kcal/mol:	-132.79
Dipole, Da:	4.31
IP(EA), eV:	-9.01(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3

DOS

IR

Vibrations