Geometry & MOs

Info

ID:	366085
PubChem CID:	127319418
Reduced:	SN2O4C16H18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	323.105211
ΔH_f, kcal/mol:	-127.58
Dipole, Da:	7.87
IP(EA), eV:	-9.5(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CC=C2)C(=O)NC3CCCS(=O)(=O)C3

DOS

IR

Vibrations