Geometry & MOs

Info

ID:	85429
PubChem CID:	49875033
Reduced:	ClSN3O5H16C17 (1)
Stoich.:	ABC3D5E16F17 (1)
Weight, g/mol:	490.128589
ΔH_f, kcal/mol:	-6.53
Dipole, Da:	7.09
IP(EA), eV:	-9.16(-2.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(5-methylthiophen-2-yl)thiophen-2-yl]-1-trityltetrazole

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=C(SC(=C2)[N+](=O)[O-])C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations