Geometry & MOs

Info

ID:	307835
PubChem CID:	125309719
Reduced:	BrSN3H8C9 (1)
Stoich.:	ABC3D8E9 (1)
Weight, g/mol:	417.205242
ΔH_f, kcal/mol:	103.94
Dipole, Da:	6.18
IP(EA), eV:	-8.97(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1[C@H](N=NC1=S)C2=CC=CC=C2Br

DOS

IR

Vibrations