Geometry & MOs

Info

ID:	366182
PubChem CID:	127319591
Reduced:	ClSN2O4C18H23 (1)
Stoich.:	ABC2D4E18F23 (1)
Weight, g/mol:	357.118084
ΔH_f, kcal/mol:	-178.19
Dipole, Da:	6.52
IP(EA), eV:	-9.58(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(1,1-dioxothian-3-yl)propanamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)NC3CCCS(=O)(=O)C3

DOS

IR

Vibrations