Geometry & MOs

Info

ID:	81110
PubChem CID:	49854362
Reduced:	O2S2N5C17H21 (1)
Stoich.:	A2B2C5D17E21 (1)
Weight, g/mol:	448.171517
ΔH_f, kcal/mol:	-26.87
Dipole, Da:	4.15
IP(EA), eV:	-8.49(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC2=C(S1)CCC3=C2SC(=N3)NC(=O)N4CC[C@H]4C(=O)N

DOS

IR

Vibrations