Geometry & MOs

Info

ID:	308058
PubChem CID:	125316769
Reduced:	OS3N4C13H14 (1)
Stoich.:	AB3C4D13E14 (1)
Weight, g/mol:	431.220892
ΔH_f, kcal/mol:	87.37
Dipole, Da:	3.46
IP(EA), eV:	-8.82(-2.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CC2=C(CS1)OC3=N[C@@H](N4C(=C23)N=NC4=S)SC)C

DOS

IR

Vibrations