Geometry & MOs

Info

ID:	437477
PubChem CID:	135226402
Reduced:	SN3C5H7 (1)
Stoich.:	AB3C5D7 (1)
Weight, g/mol:	298.109962
ΔH_f, kcal/mol:	49.14
Dipole, Da:	2.52
IP(EA), eV:	-9.36(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(3-carbamoyl-5-methyl-3a,6a-dihydropyrazolo[4,3-d][1,3]thiazol-1-yl)acetate

Drug info:

PubChemData

Smile

CC1=NC2C=NNC2S1

DOS

IR

Vibrations