Geometry & MOs

Info

ID:	163644
PubChem CID:	58106522
Reduced:	SH8C15 (2)
Stoich.:	AB8C15 (2)
Weight, g/mol:	428.163243
ΔH_f, kcal/mol:	222.38
Dipole, Da:	1.84
IP(EA), eV:	-7.7(-2.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,13-dibutyl-8,9-dimethyl-3,12-dithiahexacyclo[8.8.2.02,6.07,19.011,15.016,20]icosa-1,4,6,8,10,13,15,17,19-nonaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C4C=CC5=C6C=C(SC6=C7C5=C4C(=C3S2)C=C7)C8=CC=CC=C8

DOS

IR

Vibrations