Geometry & MOs

Info

ID:	27975
PubChem CID:	824493
Reduced:	ClNSO2C18H18 (1)
Stoich.:	ABCD2E18F18 (1)
Weight, g/mol:	345.095413
ΔH_f, kcal/mol:	-44.67
Dipole, Da:	2.57
IP(EA), eV:	-9.16(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]-piperidin-1-ylmethanone

Drug info:

PubChemData

Smile

C1COCCN1C(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl

DOS

IR

Vibrations