Geometry & MOs

Info

ID:	23277
PubChem CID:	602976
Reduced:	SN2O2C16H20 (1)
Stoich.:	AB2C2D16E20 (1)
Weight, g/mol:	304.124549
ΔH_f, kcal/mol:	-39.91
Dipole, Da:	4.17
IP(EA), eV:	-9.0(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-phenylmethoxypropan-2-ol

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)SCC(COCC2=CC=CC=C2)O)C

DOS

IR

Vibrations