Geometry & MOs

Info

ID:

219134

PubChem CID:

85090796

Reduced:

ClPN5O5C28H41 (1)

Stoich.:

ABC5D5E28F41 (1)

Weight, g/mol:

590.178812

ΔHf, kcal/mol:

-262.89

Dipole, Da:

3.74

IP(EA), eV:

 -9.03(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[2-hydroxy-3-[3-hydroxy-2-methyl-4-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl]oxy-3-methylbutoxy]furo[3,2-g]chromen-7-one

Drug info:

PubChemData

Smile

CC(C)(C)OP(=O)(OCC(=O)N1CCC(CC1)C2C(C(NN2)C3=CC=C(C=C3)Cl)C4=NC=NC=C4)OC(C)(C)C

DOS

IR

Vibrations