Geometry & MOs

Info

ID:

320406

PubChem CID:

126660269

Reduced:

F2O2N3H23C25 (1)

Stoich.:

A2B2C3D23E25 (1)

Weight, g/mol:

1663.840257

ΔHf, kcal/mol:

-106.0

Dipole, Da:

6.14

IP(EA), eV:

-8.68(-1.09)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

3-[4-[10-methoxy-5-(4-propan-2-yloxyphenyl)-6-oxapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,8(13),9,11,15,17,19-nonaen-5-yl]phenoxy]propyl 5-[4-[4-[6-[3-[4-[10-methoxy-5-(4-propan-2-yloxyphenyl)-6-oxapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,8(13),9,11,15,17,19-nonaen-5-yl]phenoxy]propoxy]-2-methyl-3,6-dioxohexan-2-yl]oxy-2-methylpentan-2-yl]oxy-4-methylpentan-2-yl]oxy-5-methyl-4-oxohexanoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC)CCC2=CC3=C4C=CC(=CC4=NC(=C3N=C2)N)C(=O)C(C)(F)F

DOS

IR

Vibrations