Geometry & MOs

Info

ID:

214950

PubChem CID:

85083907

Reduced:

SP2N6O13C20H24 (1)

Stoich.:

AB2C6D13E20F24 (1)

Weight, g/mol:

650.236327

ΔHf, kcal/mol:

-569.02

Dipole, Da:

4.99

IP(EA), eV:

 -9.43(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[4-[3-acetyloxy-1-(3,4-dimethoxyphenyl)-1-[2-methoxy-4-(3-methoxy-3-oxoprop-1-enyl)phenoxy]propan-2-yl]oxy-3-methoxyphenyl]prop-2-enoate

Drug info:

PubChemData

Smile

C1=C(SC(=C1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C#N

DOS

IR

Vibrations