Geometry & MOs

Info

ID:	271620
PubChem CID:	103685959
Reduced:	SN2O2C12H18 (1)
Stoich.:	AB2C2D12E18 (1)
Weight, g/mol:	300.060235
ΔH_f, kcal/mol:	-83.08
Dipole, Da:	2.84
IP(EA), eV:	-8.65(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-2-methylsulfanylbutan-1-ol

Drug info:

PubChemData

Smile

CC(C(CO)SC)NC(=O)NC1=CC=CC=C1

DOS

IR

Vibrations