Geometry & MOs

Info

ID:	54035
PubChem CID:	14719670
Reduced:	S2N5O5C14H17 (1)
Stoich.:	A2B5C5D14E17 (1)
Weight, g/mol:	416.066966
ΔH_f, kcal/mol:	-131.89
Dipole, Da:	5.84
IP(EA), eV:	-8.99(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-chloro-3-(methoxymethyl)pyridin-2-yl]sulfonyl-3-(4-ethoxy-6-methyl-1,3,5-triazin-2-yl)urea

Drug info:

PubChemData

Smile

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC=N2)CSC)OC

DOS

IR

Vibrations