Geometry & MOs

Info

ID:	189595
PubChem CID:	77877318
Reduced:	SO5N6C20H32 (1)
Stoich.:	AB5C6D20E32 (1)
Weight, g/mol:	542.11601
ΔH_f, kcal/mol:	-166.66
Dipole, Da:	3.09
IP(EA), eV:	-8.96(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3a-[1,3-bis(methylsulfanyl)prop-2-enyl]-7-bromo-5-[4-(oxan-2-yloxy)butyl]-1,2,3,8b-tetrahydrocyclopenta[b][1]benzofuran-2-ol

Drug info:

PubChemData

Smile

CCCCCOCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)NC(=O)C(CCSC)N)O)O

DOS

IR

Vibrations