Geometry & MOs

Info

ID:	81208
PubChem CID:	49854465
Reduced:	SO3N6C19H24 (1)
Stoich.:	AB3C6D19E24 (1)
Weight, g/mol:	419.144967
ΔH_f, kcal/mol:	-84.39
Dipole, Da:	2.94
IP(EA), eV:	-9.07(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC=C2CCC3=C(C2=N1)SC(=N3)NC(=O)N4CC[C@H]([C@H]4C(=O)N)O

DOS

IR

Vibrations