Geometry & MOs

Info

ID:	401599
PubChem CID:	135051796
Reduced:	NSH11C17 (1)
Stoich.:	ABC11D17 (1)
Weight, g/mol:	335.078085
ΔH_f, kcal/mol:	112.52
Dipole, Da:	4.05
IP(EA), eV:	-8.78(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C(/C#N)\C2=CSC3=CC=CC=C32

DOS

IR

Vibrations