Geometry & MOs

Info

ID:

221713

PubChem CID:

85286067

Reduced:

O3N4C38H50 (1)

Stoich.:

A3B4C38D50 (1)

Weight, g/mol:

610.166448

ΔHf, kcal/mol:

-83.77

Dipole, Da:

7.43

IP(EA), eV:

 -8.53(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3,4,5-triacetyloxy-6-carbonochloridoyl-6-[(4-methoxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl)oxy]oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)N1CCC(CC1)N(CC2=CC=CC=C2)C3=CC=C(C=C3)OCC4=CC=CC=C4)NC(=O)N5CCCCCC5

DOS

IR

Vibrations