Geometry & MOs

Info

ID:	85410
PubChem CID:	49874873
Reduced:	ClNOSC14H20 (1)
Stoich.:	ABCDE14F20 (1)
Weight, g/mol:	256.045253
ΔH_f, kcal/mol:	-66.49
Dipole, Da:	1.0
IP(EA), eV:	-9.02(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methylsulfanyl-4-thia-1,6,8,10-tetrazatricyclo[7.4.0.03,7]trideca-3(7),5-dien-2-one

Drug info:

PubChemData

Smile

C1CCN(C1)CC2(CSCC3=CC=CC=C32)O.Cl

DOS

IR

Vibrations