Geometry & MOs

Info

ID:	35090
PubChem CID:	7979294
Reduced:	BrSN3O4H10C12 (1)
Stoich.:	ABC3D4E10F12 (1)
Weight, g/mol:	387.069592
ΔH_f, kcal/mol:	-67.9
Dipole, Da:	1.23
IP(EA), eV:	-9.49(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CSC(=C1)C(=O)NNC(=O)CNC(=O)C2=CC=C(O2)Br

DOS

IR

Vibrations