Geometry & MOs

Info

ID:	746
PubChem CID:	3307
Reduced:	ClSN4H15C17 (1)
Stoich.:	ABC4D15E17 (1)
Weight, g/mol:	342.070595
ΔH_f, kcal/mol:	99.95
Dipole, Da:	8.59
IP(EA), eV:	-9.42(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2-chlorophenyl)-4-ethyl-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene

Drug info:

PubChemData

Smile

CCC1=CC2=C(S1)N3C(=NN=C3CN=C2C4=CC=CC=C4Cl)C

DOS

IR

Vibrations