Geometry & MOs

Info

ID:	54044
PubChem CID:	14719719
Reduced:	S2O3N5C16H21 (1)
Stoich.:	A2B3C5D16E21 (1)
Weight, g/mol:	398.083095
ΔH_f, kcal/mol:	-76.01
Dipole, Da:	6.25
IP(EA), eV:	-8.88(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(ethylsulfanylmethyl)pyridin-2-yl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations