Geometry & MOs

Info

ID:	169793
PubChem CID:	75149800
Reduced:	SO2C18H22 (1)
Stoich.:	AB2C18D22 (1)
Weight, g/mol:	387.09462
ΔH_f, kcal/mol:	-59.24
Dipole, Da:	1.64
IP(EA), eV:	-8.68(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-3-(2-imidazol-1-ylethyl)-5-azatricyclo[9.4.0.02,7]pentadeca-1(15),11,13-trien-4-one

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)SC(C2=CC=CC=C2)C(COC)O

DOS

IR

Vibrations