Geometry & MOs

Info

ID:	390573
PubChem CID:	134999776
Reduced:	SN2O12C17H30 (1)
Stoich.:	AB2C12D17E30 (1)
Weight, g/mol:	518.00117
ΔH_f, kcal/mol:	-555.71
Dipole, Da:	4.29
IP(EA), eV:	-9.39(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2Z)-2-[(E)-3-(3-propyl-1,3-benzoselenazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoselenazol-3-yl]propanoate

Drug info:

PubChemData

Smile

CC(=O)N[C@@H](CS)C(=O)N[C@@H]1[C@@H](C([C@H](OC1OC2[C@H]([C@H](C(C([C@H]2O)O)O)O)O)CO)O)O

DOS

IR

Vibrations