Geometry & MOs

Info

ID:	81108
PubChem CID:	49854360
Reduced:	O2S2N5C18H23 (1)
Stoich.:	A2B2C5D18E23 (1)
Weight, g/mol:	419.144967
ΔH_f, kcal/mol:	-47.2
Dipole, Da:	4.86
IP(EA), eV:	-8.51(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC2=C(S1)CCC3=C2SC(=N3)NC(=O)N4CCC[C@H]4C(=O)N

DOS

IR

Vibrations