Geometry & MOs

Info

ID:	438813
PubChem CID:	135228570
Reduced:	SN2O3C14H18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	390.141342
ΔH_f, kcal/mol:	-91.72
Dipole, Da:	2.31
IP(EA), eV:	-8.87(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzodioxol-5-yl)-N-[[(3R)-5-(4-fluorophenyl)thiomorpholin-3-yl]methoxymethyl]methanamine

Drug info:

PubChemData

Smile

CC1CSC[C@H](N1)C(=O)NCC2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations