Geometry & MOs

Info

ID:	307559
PubChem CID:	125307490
Reduced:	SO2N4C21H26 (1)
Stoich.:	AB2C4D21E26 (1)
Weight, g/mol:	294.035751
ΔH_f, kcal/mol:	-19.06
Dipole, Da:	2.83
IP(EA), eV:	-8.66(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-6H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CC[C@H](C)N1[C@H](N=C2C=C(N=C2C1=O)C)SCC(=O)NC3=C(C=CC(=C3)C)C

DOS

IR

Vibrations