Geometry & MOs

Info

ID:	317277
PubChem CID:	126635349
Reduced:	ClSN3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	398.976666
ΔH_f, kcal/mol:	57.53
Dipole, Da:	1.6
IP(EA), eV:	-8.2(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1',1',14-trichloro-12-ethylspiro[16-thia-4,12,15-triazatricyclo[11.2.1.02,7]hexadeca-1(15),2(7),3,5,8,13-hexaene-10,2'-cyclopropane]-11-one

Drug info:

PubChemData

Smile

CCN(C)/C(=C(/N=C)\Cl)/SCC1=CN=CC=C1

DOS

IR

Vibrations