Geometry & MOs

Info

ID:

219139

PubChem CID:

85090825

Reduced:

N2O7C34H46 (1)

Stoich.:

A2B7C34D46 (1)

Weight, g/mol:

597.278526

ΔHf, kcal/mol:

-276.1

Dipole, Da:

6.74

IP(EA), eV:

 -8.81(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-acetyloxy-3-[4-[[2-acetyloxy-2-(2,3,4-trimethyl-2,3-dihydropyran-6-ylidene)acetyl]amino]-8-methoxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-yl]propyl] acetate

Drug info:

PubChemData

Smile

CC=C(C)C(=O)NC(C)C(=O)OC1CC=CC=CC=CC(CC(=O)NC2=CC(=CC(=C2)CCC=C(C(C1C)O)C)O)OC

DOS

IR

Vibrations