Geometry & MOs

Info

ID:	159355
PubChem CID:	57269672
Reduced:	PO7C8H14 (1)
Stoich.:	AB7C8D14 (1)
Weight, g/mol:	490.15309
ΔH_f, kcal/mol:	-333.0
Dipole, Da:	4.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.764102
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-propan-2-ylpiperazin-1-yl)methylidene]-2,6-bis(2-thiophen-2-ylethyl)-1,2,6-thiadiazinane-3,5-dione

Drug info:

PubChemData

Smile

CC(CO[P+](=O)OCC(C)C(=O)O)C(=O)O

DOS

IR

Vibrations