Geometry & MOs

Info

ID:	314889
PubChem CID:	126623909
Reduced:	BrFO3N8H24C26 (1)
Stoich.:	ABC3D8E24F26 (1)
Weight, g/mol:	263.134385
ΔH_f, kcal/mol:	-45.76
Dipole, Da:	7.73
IP(EA), eV:	-8.13(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-cyclohexyl-7-ethyl-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)NC2=CC3=C(C=C2)N(N=C3C(=O)C)CC(=O)N4C[C@@H](C[C@H]4C(=O)NC5=NC(=CC=C5)Br)F

DOS

IR

Vibrations