Geometry & MOs

Info

ID:	20687
PubChem CID:	585202
Reduced:	NSO4C17H23 (1)
Stoich.:	ABC4D17E23 (1)
Weight, g/mol:	337.134779
ΔH_f, kcal/mol:	-153.84
Dipole, Da:	3.47
IP(EA), eV:	-9.0(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butyl-7a-[hydroxy-(4-methoxyphenyl)methyl]-5,7-dihydro-3H-[1,3]thiazolo[3,4-c][1,3]oxazol-1-one

Drug info:

PubChemData

Smile

CC(C)(C)C1N2CSCC2(C(=O)O1)C(C3=CC=C(C=C3)OC)O

DOS

IR

Vibrations