Geometry & MOs

Info

ID:	369259
PubChem CID:	127331637
Reduced:	OSN4C14H18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	293.108565
ΔH_f, kcal/mol:	22.35
Dipole, Da:	6.05
IP(EA), eV:	-8.73(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1,4-benzodioxin-5-yl-(2,3-dimethylthiomorpholin-4-yl)methanone

Drug info:

PubChemData

Smile

CC1C(SCCN1C(=O)C2=CC3=C(C=C2)N(N=N3)C)C

DOS

IR

Vibrations