Geometry & MOs

Info

ID:	390401
PubChem CID:	134998991
Reduced:	NO9C25H37 (1)
Stoich.:	AB9C25D37 (1)
Weight, g/mol:	609.919908
ΔH_f, kcal/mol:	-412.86
Dipole, Da:	0.73
IP(EA), eV:	-9.55(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1-adamantylsulfonyl)-2,5,6,7,8-pentachloro-4H-1,3-benzodithiin-4-yl]-trimethylsilane

Drug info:

PubChemData

Smile

CC1CCC2(C3(CC4(C([C@H](C2(C1O)O4)O)(C(C([C@H]3O)OC(=O)C5=CC=CN5)(C(C)C)O)C)O)C)O

DOS

IR

Vibrations