Geometry & MOs

Info

ID:

25930

PubChem CID:

634224

Reduced:

N2S2Cl3O7H17C18 (1)

Stoich.:

A2B2C3D7E17F18 (1)

Weight, g/mol:

494.226431

ΔHf, kcal/mol:

-239.71

Dipole, Da:

4.27

IP(EA), eV:

 -9.23(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[9-(2-methoxy-2-oxoethyl)-8-(3-methoxy-3-oxopropyl)-3a,8,9b-trimethyl-2,5,7-trioxo-3,4,9,9a-tetrahydro-1H-pyrrolo[3,2-g]indolizin-3-yl]propanoate

Drug info:

PubChemData

Smile

COC(=O)NC1C2N(C1=O)C(=C(CS2(=O)=O)CSC3=CC=CC=C3)C(=O)OCC(Cl)(Cl)Cl

DOS

IR

Vibrations