Geometry & MOs

Info

ID:	54357
PubChem CID:	17112212
Reduced:	ClSN3O3H24C26 (1)
Stoich.:	ABC3D3E24F26 (1)
Weight, g/mol:	455.209658
ΔH_f, kcal/mol:	-37.91
Dipole, Da:	3.44
IP(EA), eV:	-8.77(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methyl]-6-methoxychromen-2-one

Drug info:

PubChemData

Smile

CC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)CNC(=S)NC(=O)C4=C(C=CC(=C4)Cl)OC

DOS

IR

Vibrations