Geometry & MOs

Info

ID:

307747

PubChem CID:

125308814

Reduced:

NO7H23C25 (1)

Stoich.:

AB7C23D25 (1)

Weight, g/mol:

550.231516

ΔHf, kcal/mol:

-190.01

Dipole, Da:

3.11

IP(EA), eV:

 -8.71(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-6-[(1R)-3-[(9aR)-1,3,4,9a-tetrahydropyrido[3,4-b]indol-2-yl]-3-oxo-1-(2,4,5-trimethoxyphenyl)propyl]-5-hydroxy-2-(methoxymethyl)-2,3-dihydropyran-4-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2[C@@H]([C@H](CC(=O)O2)C3=CC(=C(C=C3)OC)OCC4=CC=CC=C4)C(=O)N=C1

DOS

IR

Vibrations