Geometry & MOs

Info

ID:	366212
PubChem CID:	127319645
Reduced:	SN2O5C16H20 (1)
Stoich.:	AB2C5D16E20 (1)
Weight, g/mol:	309.089561
ΔH_f, kcal/mol:	-204.37
Dipole, Da:	4.67
IP(EA), eV:	-8.86(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothian-3-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(CS(=O)(=O)C1)NC(=O)COC2=CC3=C(C=C2)NC(=O)CC3

DOS

IR

Vibrations