Geometry & MOs

Info

ID:	54040
PubChem CID:	14719697
Reduced:	ClSN5O5C15H18 (1)
Stoich.:	ABC5D5E15F18 (1)
Weight, g/mol:	396.121589
ΔH_f, kcal/mol:	-149.95
Dipole, Da:	4.73
IP(EA), eV:	-10.02(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations