Geometry & MOs

Info

ID:

191749

PubChem CID:

78183732

Reduced:

P2N12O19C29H38 (1)

Stoich.:

A2B12C19D29E38 (1)

Weight, g/mol:

815.466721

ΔHf, kcal/mol:

-802.45

Dipole, Da:

8.23

IP(EA), eV:

 -9.37(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-acetyloxy-6-[2-[3-[3-acetyloxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-5-(5-acetyloxy-4-methoxy-6-methyloxan-2-yl)oxy-2,4-dimethylpentyl]oxiran-2-yl]-3,5-dimethyl-6-oxohexan-2-yl] propanoate

Drug info:

PubChemData

Smile

C1CN(C(=O)NC1=O)C2C(C(C(O2)CO)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5C4=NC(=NC5=O)N)O)OP(=O)(O)OCC6C(C(C(O6)N7C=NC8=C(N=CN=C87)N)O)O)O

DOS

IR

Vibrations