Geometry & MOs

Info

ID:	34694
PubChem CID:	7978833
Reduced:	N2S2O3H18C21 (1)
Stoich.:	A2B2C3D18E21 (1)
Weight, g/mol:	410.075885
ΔH_f, kcal/mol:	-50.23
Dipole, Da:	4.16
IP(EA), eV:	-8.99(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@@]2(N(C1=O)[C@@H](CS2)C(=O)OCC3=NC4=CC=CC=C4S3)C5=CC=CC=C5

DOS

IR

Vibrations