Geometry & MOs

Info

ID:

307573

PubChem CID:

125307548

Reduced:

NO7C33H61 (1)

Stoich.:

AB7C33D61 (1)

Weight, g/mol:

435.179421

ΔHf, kcal/mol:

-411.9

Dipole, Da:

4.67

IP(EA), eV:

 -9.65(0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2R,8R)-2-(3,4-dimethoxyphenyl)-6-(2-hydroxyethyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-10,12,14,16-tetraene-4,7-dione

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC/C=C/[C@H]([C@@H](COC(=O)CCC(=O)OCCOC)NC(=O)CCCCCCC)O

DOS

IR

Vibrations