Geometry & MOs

Info

ID:	308492
PubChem CID:	125333246
Reduced:	BrO2N3C25H26 (1)
Stoich.:	AB2C3D25E26 (1)
Weight, g/mol:	479.12084
ΔH_f, kcal/mol:	-2.94
Dipole, Da:	3.03
IP(EA), eV:	-9.09(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCN1CC(=O)N2[C@@H](C1=O)CC3=C4C=CC=CC4=N[C@H]3[C@@H]2C5=CC(=CC=C5)Br

DOS

IR

Vibrations