Geometry & MOs

Info

ID:	176322
PubChem CID:	76033763
Reduced:	ON2H9C14 (2)
Stoich.:	AB2C9D14 (2)
Weight, g/mol:	590.161054
ΔH_f, kcal/mol:	176.68
Dipole, Da:	3.98
IP(EA), eV:	-9.06(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6a-hydroxy-9-(3-hydroxypropoxy)-3-phenylmethoxy-6,11a-dihydro-[1]benzofuro[3,2-c]chromen-7-yl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

C#CCN1C2=CC=CC=C2C(=C(CC3(CC34C5=CC=CC=C5N(C4=O)CC#C)C#N)C#N)C1=O

DOS

IR

Vibrations