Geometry & MOs

Info

ID:	178292
PubChem CID:	76309521
Reduced:	N2S2O3C17H22 (1)
Stoich.:	A2B2C3D17E22 (1)
Weight, g/mol:	350.130028
ΔH_f, kcal/mol:	-75.55
Dipole, Da:	6.84
IP(EA), eV:	-9.16(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,5-dimethylphenyl)sulfanyl-1-(2-hydroxyethoxy)-5-propan-2-ylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)SC2=C(C(=O)NC(=S)N2OCCO)C(C)C)C

DOS

IR

Vibrations