Geometry & MOs

Info

ID:	216355
PubChem CID:	85086089
Reduced:	O4H14C15 (1)
Stoich.:	A4B14C15 (1)
Weight, g/mol:	257.992155
ΔH_f, kcal/mol:	-112.47
Dipole, Da:	4.02
IP(EA), eV:	-9.86(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,10-dithia-12,14-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(16),2(6),3,7,11,13-hexaen-15-one

Drug info:

PubChemData

Smile

CC(=O)CC=CCC1(C(=O)C2=CC=CC=C2C1=O)O

DOS

IR

Vibrations