Geometry & MOs

Info

ID:	233030
PubChem CID:	87691545
Reduced:	ClNO5C9H16 (1)
Stoich.:	ABC5D9E16 (1)
Weight, g/mol:	752.109831
ΔH_f, kcal/mol:	-202.36
Dipole, Da:	3.09
IP(EA), eV:	-10.09(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tris(5,6-dimethoxy-2,2-dimethyl-1,3-benzodithiol-4-yl)methanol

Drug info:

PubChemData

Smile

CC1(COC(=O)N1Cl)COCCOCCO

DOS

IR

Vibrations