Geometry & MOs

Info

ID:	284760
PubChem CID:	104069124
Reduced:	NSO2C13H19 (1)
Stoich.:	ABC2D13E19 (1)
Weight, g/mol:	237.028206
ΔH_f, kcal/mol:	-80.58
Dipole, Da:	4.74
IP(EA), eV:	-8.66(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1,3-thiazol-2-ylmethylsulfanyl)phenyl]methanol

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CSC1=CC=C(C=C1)CO

DOS

IR

Vibrations