Geometry & MOs

Info

ID:

147740

PubChem CID:

53787398

Reduced:

OSN3C19H25 (1)

Stoich.:

ABC3D19E25 (1)

Weight, g/mol:

622.145319

ΔHf, kcal/mol:

-11.48

Dipole, Da:

2.4

IP(EA), eV:

 -8.02(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-(2-chloro-4-hydroxy-3,5-dimethoxyphenyl)-5-[(7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one

Drug info:

PubChemData

Smile

CC(C)(C1CCCN1)OC2=CC(=CC=C2)SC3=CC(=C(C=C3)N)N

DOS

IR

Vibrations