Geometry & MOs

Info

ID:	192311
PubChem CID:	78255353
Reduced:	ClOSN5C19H20 (1)
Stoich.:	ABCD5E19F20 (1)
Weight, g/mol:	388.099884
ΔH_f, kcal/mol:	41.33
Dipole, Da:	5.12
IP(EA), eV:	-8.92(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

7-(3-chlorophenyl)-3,13-dimethyl-16-thia-2,4,5,7-tetraza-13-azoniatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,10(15)-trien-8-one

Drug info:

PubChemData

Smile

CCC1=NNC2N1C3=C(C4=C(S3)CN(CC4)C)C(=O)N2C5=CC(=CC=C5)Cl

DOS

IR

Vibrations