Geometry & MOs

Info

ID:

308278

PubChem CID:

125325588

Reduced:

N2O6C15H22 (2)

Stoich.:

A2B6C15D22 (2)

Weight, g/mol:

520.220951

ΔHf, kcal/mol:

-556.38

Dipole, Da:

5.96

IP(EA), eV:

 -9.3(-0.15)

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]-1-(3,4-dimethoxyphenyl)-3-oxopropyl]-5-hydroxy-2-(methoxymethyl)-2,3-dihydropyran-4-one

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCC(=O)N[C@@H](CC(=O)OC)C(=O)OC)NC(=O)[C@H](CC1=CC=C(C=C1)OC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations