Geometry & MOs

Info

ID:	368674
PubChem CID:	127329747
Reduced:	SO3N5C13H19 (1)
Stoich.:	AB3C5D13E19 (1)
Weight, g/mol:	362.141262
ΔH_f, kcal/mol:	-32.79
Dipole, Da:	5.99
IP(EA), eV:	-9.61(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-7-(4-methoxy-2,3-dimethylphenyl)sulfonyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CS(=O)(=O)N2CCN3C(=NN=C3C(C)C)C2

DOS

IR

Vibrations