Geometry & MOs

Info

ID:	358721
PubChem CID:	127296535
Reduced:	N3O3C23H33 (1)
Stoich.:	A3B3C23D33 (1)
Weight, g/mol:	397.058855
ΔH_f, kcal/mol:	-124.75
Dipole, Da:	5.76
IP(EA), eV:	-8.68(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidin-3-yl]sulfonylmethyl]benzonitrile

Drug info:

PubChemData

Smile

CCCOC1CCCN(CC1)CC(=O)N2C3=CC=CC=C3NC(=O)C24CCCC4

DOS

IR

Vibrations