Geometry & MOs

Info

ID:	168998
PubChem CID:	75054077
Reduced:	FS2N3O3C23H26 (1)
Stoich.:	AB2C3D3E23F26 (1)
Weight, g/mol:	285.209264
ΔH_f, kcal/mol:	-127.38
Dipole, Da:	7.29
IP(EA), eV:	-9.13(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,11-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)SC(=N2)C3(CCS(=O)(=O)CC3)NC(=O)CC(CC4=CC=CC=C4F)N

DOS

IR

Vibrations