Geometry & MOs

Info

ID:	382803
PubChem CID:	134974162
Reduced:	NOSC13H17 (1)
Stoich.:	ABCD13E17 (1)
Weight, g/mol:	403.235015
ΔH_f, kcal/mol:	1.74
Dipole, Da:	5.4
IP(EA), eV:	-7.93(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C[S@](=NC1=CCCCC1)(=O)C2=CC=CC=C2

DOS

IR

Vibrations