Geometry & MOs

Info

ID:

214798

PubChem CID:

85083661

Reduced:

F2N5O6C31H35 (1)

Stoich.:

A2B5C6D31E35 (1)

Weight, g/mol:

611.345818

ΔHf, kcal/mol:

-247.08

Dipole, Da:

2.7

IP(EA), eV:

 -9.1(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6'-but-2-en-2-yl-21,24-dihydroxy-4'-methoxyimino-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1F)N2CC3=CN=C(N=C3N(C2=O)C4CCCC4)NCC5C(COC(O5)C6=CC=CC=C6)CO)F)OC

DOS

IR

Vibrations