Geometry & MOs

Info

ID:

181066

PubChem CID:

76715578

Reduced:

S2N4O7C42H46 (1)

Stoich.:

A2B4C7D42E46 (1)

Weight, g/mol:

548.325023

ΔHf, kcal/mol:

-150.13

Dipole, Da:

6.55

IP(EA), eV:

 -8.86(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-hydroxy-14-methyl-4-[2-(3-phenylpropanoyl)pyrrolidine-1-carbonyl]-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-2,15-dione

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N=C(C(=N2)C3=CC=CS3)OC4CC5C(=O)CC6(CC6C=CCCCCCC(C(=O)N5C4)CC7=CC=CC=C7)C(=O)NS(=O)(=O)C8CC8

DOS

IR

Vibrations