Geometry & MOs

Info

ID:	34693
PubChem CID:	7978832
Reduced:	SN3O5C20H25 (1)
Stoich.:	AB3C5D20E25 (1)
Weight, g/mol:	410.075885
ΔH_f, kcal/mol:	-144.09
Dipole, Da:	6.81
IP(EA), eV:	-8.89(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)OCC(=O)NNC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations