Geometry & MOs

Info

ID:	139166
PubChem CID:	52484645
Reduced:	NS2O4C18H25 (1)
Stoich.:	AB2C4D18E25 (1)
Weight, g/mol:	273.037898
ΔH_f, kcal/mol:	-165.42
Dipole, Da:	8.48
IP(EA), eV:	-8.92(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-chlorophenyl)methylsulfanylmethyl]benzonitrile

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)CN([C@H]2CCS(=O)(=O)C2)C(=O)CSCC3=CC=CC=C3

DOS

IR

Vibrations