Geometry & MOs

Info

ID:	223623
PubChem CID:	85335324
Reduced:	SO5N6C20H24 (1)
Stoich.:	AB5C6D20E24 (1)
Weight, g/mol:	460.216221
ΔH_f, kcal/mol:	-68.76
Dipole, Da:	6.2
IP(EA), eV:	-9.57(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-fluorophenyl)-1-[3-(9-methoxy-5H-[1]benzoxepino[3,4-b]pyridin-11-ylidene)propyl]piperidin-4-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)NC(CCCCN=C(N)NC#N)C(=O)NO

DOS

IR

Vibrations