Geometry & MOs

Info

ID:	81204
PubChem CID:	49854461
Reduced:	O2S2N5C19H25 (1)
Stoich.:	A2B2C5D19E25 (1)
Weight, g/mol:	417.129317
ΔH_f, kcal/mol:	-53.88
Dipole, Da:	5.07
IP(EA), eV:	-8.53(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-2-N-(7-tert-butyl-4,5-dihydro-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-2-azabicyclo[3.1.0]hexane-1,2-dicarboxamide

Drug info:

PubChemData

Smile

C[C@H]1CCN([C@@H]1C(=O)N)C(=O)NC2=NC3=C(S2)C4=C(CC3)SC(=N4)C(C)(C)C

DOS

IR

Vibrations