Geometry & MOs

Info

ID:	338526
PubChem CID:	127259218
Reduced:	N2O2S2C9H12 (1)
Stoich.:	A2B2C2D9E12 (1)
Weight, g/mol:	271.087829
ΔH_f, kcal/mol:	-44.57
Dipole, Da:	6.4
IP(EA), eV:	-8.9(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-hydroxyphenyl)sulfinamoyl-2-methylpropan-2-yl] acetate

Drug info:

PubChemData

Smile

CCC1=NC=C(N1)C(=S)SCOC(=O)C

DOS

IR

Vibrations