Geometry & MOs

Info

ID:	390675
PubChem CID:	135000317
Reduced:	NSO2C12H13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	413.11321
ΔH_f, kcal/mol:	-28.78
Dipole, Da:	1.32
IP(EA), eV:	-9.56(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(E)-2-(3-pentyl-1,3-benzoselenazol-3-ium-2-yl)ethenyl]-N-phenylacetamide

Drug info:

PubChemData

Smile

CCCCSC(=O)C1=NC2=CC=CC=C2O1

DOS

IR

Vibrations