Geometry & MOs

Info

ID:	417090
PubChem CID:	135091298
Reduced:	SN2O5C19H26 (1)
Stoich.:	AB2C5D19E26 (1)
Weight, g/mol:	315.133139
ΔH_f, kcal/mol:	-188.4
Dipole, Da:	4.57
IP(EA), eV:	-9.01(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,1,3-benzoxadiazol-5-yl)-N-methyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]methanamine

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)OC=C2CC(=O)N[C@H]3COC[C@H]3CS(=O)(=O)N(C)C)C

DOS

IR

Vibrations