Geometry & MOs

Info

ID:

177028

PubChem CID:

76126221

Reduced:

SN5O7C41H53 (1)

Stoich.:

AB5C7D41E53 (1)

Weight, g/mol:

625.346211

ΔHf, kcal/mol:

-272.64

Dipole, Da:

4.39

IP(EA), eV:

 -9.02(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-(dimethylamino)-10-[1-(1,3-dioxolan-2-yl)-4-methyl-5-oxododeca-6,8-dien-2-yl]-3-hydroxy-9-methoxy-2-methyl-6-oxo-3,4,4a,7,8,9,10,11a-octahydro-2H-pyrano[2,3-b][1,4]dioxonin-8-yl] acetate

Drug info:

PubChemData

Smile

CCC(C)C(CO)NC(=O)CC(C(C(C)CC)NC(=O)C(CC1=NC=CS1)NC(=O)C(CC2=CC=CC3=CC=CC=C32)NC(=O)OCC4=CC=CC=C4)O

DOS

IR

Vibrations