Geometry & MOs

Info

ID:	382920
PubChem CID:	134974359
Reduced:	NOSH15C22 (1)
Stoich.:	ABCD15E22 (1)
Weight, g/mol:	568.174202
ΔH_f, kcal/mol:	48.7
Dipole, Da:	5.07
IP(EA), eV:	-8.85(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15,18,25,28-tetraoxa-12,31-dithiahexacyclo[30.8.0.02,11.03,8.019,24.035,40]tetraconta-1(32),2(11),3,5,7,9,19,21,23,33,35,37,39-tridecaene

Drug info:

PubChemData

Smile

CN1C2=C(C3=CC=CC=C3C=C2)C4=C(C=CC5=CC=CC=C54)SC1=O

DOS

IR

Vibrations