Geometry & MOs

Info

ID:	172488
PubChem CID:	75515579
Reduced:	O2S2N3H15C16 (1)
Stoich.:	A2B2C3D15E16 (1)
Weight, g/mol:	334.146347
ΔH_f, kcal/mol:	8.91
Dipole, Da:	7.7
IP(EA), eV:	-9.08(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ylamino]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1)S(=O)(=O)CC2=C(N=C(S2)C3=CC=CC=C3)C

DOS

IR

Vibrations