Geometry & MOs

Info

ID:	437184
PubChem CID:	135215610
Reduced:	BrClSH16C21 (1)
Stoich.:	ABCD16E21 (1)
Weight, g/mol:	441.84753
ΔH_f, kcal/mol:	48.05
Dipole, Da:	1.89
IP(EA), eV:	-8.43(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-iodo-15-methyl-5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaene

Drug info:

PubChemData

Smile

CCCC1=CC2=C(C=C1)SC3=C2C=C(C=C3)C4=C(C=CC(=C4)Cl)Br

DOS

IR

Vibrations