Geometry & MOs

Info

ID:	160749
PubChem CID:	57389674
Reduced:	ClSN3O3C16H16 (1)
Stoich.:	ABC3D3E16F16 (1)
Weight, g/mol:	339.077454
ΔH_f, kcal/mol:	-41.1
Dipole, Da:	6.82
IP(EA), eV:	-9.07(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(4-chlorophenyl)-3,12-dimethyl-5-oxa-4,8,12-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,8,13-pentaen-11-one

Drug info:

PubChemData

Smile

CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3Cl

DOS

IR

Vibrations