Geometry & MOs

Info

ID:	81109
PubChem CID:	49854361
Reduced:	O2S2N5C19H25 (1)
Stoich.:	A2B2C5D19E25 (1)
Weight, g/mol:	391.113667
ΔH_f, kcal/mol:	-54.59
Dipole, Da:	4.43
IP(EA), eV:	-8.48(-0.93)
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)azetidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

C[C@]1(CCCN1C(=O)NC2=NC3=C(S2)C4=C(CC3)SC(=N4)C(C)(C)C)C(=O)N

DOS

IR

Vibrations