Geometry & MOs

Info

ID:	177107
PubChem CID:	76135377
Reduced:	ClSN2O3C30H35 (1)
Stoich.:	ABC2D3E30F35 (1)
Weight, g/mol:	535.00415
ΔH_f, kcal/mol:	-82.31
Dipole, Da:	6.05
IP(EA), eV:	-9.18(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]-3-(5-bromotetrazol-2-yl)piperidin-2-one

Drug info:

PubChemData

Smile

CN(CC(CCC1(CC2(CCNCC2)C3=CC=CC=C31)O)C4=CC(=CC=C4)Cl)S(=O)(=O)C5=CC=CC=C5

DOS

IR

Vibrations