Geometry & MOs

Info

ID:	142171
PubChem CID:	52995418
Reduced:	ClNO6C25H32 (1)
Stoich.:	ABC6D25E32 (1)
Weight, g/mol:	377.129694
ΔH_f, kcal/mol:	-240.57
Dipole, Da:	1.76
IP(EA), eV:	-8.36(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfonylphenol;4-phenylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(=O)OC2=C1C=CC(=C2C)OC[C@H](CNCCC3=CC(=C(C=C3)OC)OC)O)C.Cl

DOS

IR

Vibrations