Geometry & MOs

Info

ID:	408952
PubChem CID:	135081724
Reduced:	ClNS2H4C6 (1)
Stoich.:	ABC2D4E6 (1)
Weight, g/mol:	219.068414
ΔH_f, kcal/mol:	52.9
Dipole, Da:	2.75
IP(EA), eV:	-9.02(-2.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

16-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13-heptaen-8-one

Drug info:

PubChemData

Smile

C1=CC2=NSS(=C2C=C1)Cl

DOS

IR

Vibrations