Geometry & MOs

Info

ID:	369468
PubChem CID:	127333881
Reduced:	NSO3C15H19 (1)
Stoich.:	ABC3D15E19 (1)
Weight, g/mol:	324.150764
ΔH_f, kcal/mol:	-95.79
Dipole, Da:	7.57
IP(EA), eV:	-8.53(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-morpholin-4-ylphenyl)methyl]-1,1-dioxothian-3-amine

Drug info:

PubChemData

Smile

C1CC(CS(=O)(=O)C1)NCC2=CC3=CC=CC=C3OC2

DOS

IR

Vibrations