Geometry & MOs

Info

ID:	351177
PubChem CID:	127279735
Reduced:	S2N3O3C15H23 (1)
Stoich.:	A2B3C3D15E23 (1)
Weight, g/mol:	394.1021
ΔH_f, kcal/mol:	-131.03
Dipole, Da:	3.95
IP(EA), eV:	-8.64(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone

Drug info:

PubChemData

Smile

C1CCN(C(=O)C1)CC(=O)N2CSCC2C(=O)N3CCSCC3

DOS

IR

Vibrations