Geometry & MOs

Info

ID:

296823

PubChem CID:

117594942

Reduced:

N3O8C35H49 (1)

Stoich.:

A3B8C35D49 (1)

Weight, g/mol:

1080.565766

ΔHf, kcal/mol:

-238.12

Dipole, Da:

12.82

IP(EA), eV:

 -9.02(-1.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-butan-2-yl-21',24'-dihydroxy-12'-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one;3-(3,4-dimethoxyphenyl)prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1CCC2(C(C3C(O2)CC4C3(CC=C5C4CCC6C5(CCC(C6)O)C)C)C)OC1.C1COC(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-]

DOS

IR

Vibrations