Geometry & MOs

Info

ID:	338441
PubChem CID:	127259133
Reduced:	NSO3C13H17 (1)
Stoich.:	ABC3D13E17 (1)
Weight, g/mol:	219.089543
ΔH_f, kcal/mol:	-105.39
Dipole, Da:	4.83
IP(EA), eV:	-8.37(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(=O)OC(C)(C)C(=S)NC1=CC=C(C=C1)OC

DOS

IR

Vibrations