Geometry & MOs

Info

ID:	265413
PubChem CID:	103520191
Reduced:	ClNO2S2H8C10 (1)
Stoich.:	ABC2D2E8F10 (1)
Weight, g/mol:	187.0667
ΔH_f, kcal/mol:	-12.84
Dipole, Da:	2.81
IP(EA), eV:	-9.04(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-ol

Drug info:

PubChemData

Smile

CC1=COC(=N1)SCC(=O)C2=CC=C(S2)Cl

DOS

IR

Vibrations