Geometry & MOs

Info

ID:	204286
PubChem CID:	79942272
Reduced:	ClN2O2S2C12H17 (1)
Stoich.:	AB2C2D2E12F17 (1)
Weight, g/mol:	223.103085
ΔH_f, kcal/mol:	-84.36
Dipole, Da:	1.79
IP(EA), eV:	-8.65(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(5-methylthiolan-3-yl)amino]phenyl]methanol

Drug info:

PubChemData

Smile

CC1CC(CS1)NC2=C(C=CC(=C2)NS(=O)(=O)C)Cl

DOS

IR

Vibrations