Geometry & MOs

Info

ID:	265424
PubChem CID:	103520226
Reduced:	ClNSO2H10C12 (1)
Stoich.:	ABCD2E10F12 (1)
Weight, g/mol:	235.0667
ΔH_f, kcal/mol:	-25.59
Dipole, Da:	3.57
IP(EA), eV:	-8.8(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]phenyl]methanol

Drug info:

PubChemData

Smile

CC1=COC(=N1)SCC(=O)C2=CC=CC=C2Cl

DOS

IR

Vibrations