Geometry & MOs

Info

ID:	35098
PubChem CID:	7979302
Reduced:	SN3O4C16H19 (1)
Stoich.:	AB3C4D16E19 (1)
Weight, g/mol:	398.093643
ΔH_f, kcal/mol:	-134.22
Dipole, Da:	2.45
IP(EA), eV:	-9.52(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-nitrophenyl)methyl (3R,7aR)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Drug info:

PubChemData

Smile

C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CCC(=O)NNC(=O)C3=CC=CS3

DOS

IR

Vibrations