Geometry & MOs

Info

ID:

221669

PubChem CID:

85285865

Reduced:

O13C28H34 (1)

Stoich.:

A13B28C34 (1)

Weight, g/mol:

578.193416

ΔHf, kcal/mol:

-499.12

Dipole, Da:

4.76

IP(EA), eV:

 -8.68(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[5-(2-methoxy-2-oxoethyl)-2,2-dimethyl-6,6-dioxo-4,8-bis(phenoxymethyl)-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-d][1,2,7]thiadiazepin-7-yl]acetate

Drug info:

PubChemData

Smile

COCC(=O)OCC1C(C(C(C(O1)OC2=CC=CC(=C2C(=O)CCC3=CC=C(C=C3)OC)O)O)O)OC(=O)COC

DOS

IR

Vibrations