Geometry & MOs

Info

ID:	54043
PubChem CID:	14719716
Reduced:	S2O4N5C16H21 (1)
Stoich.:	A2B4C5D16E21 (1)
Weight, g/mol:	395.108582
ΔH_f, kcal/mol:	-116.56
Dipole, Da:	3.46
IP(EA), eV:	-8.56(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4,6-dimethylpyrimidin-2-yl)-3-[3-(propylsulfanylmethyl)pyridin-2-yl]sulfonylurea

Drug info:

PubChemData

Smile

CCCSCC1=C(N=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)C

DOS

IR

Vibrations