Geometry & MOs

Info

ID:	411319
PubChem CID:	135084142
Reduced:	ClNO2C10H10 (1)
Stoich.:	ABC2D10E10 (1)
Weight, g/mol:	242.076536
ΔH_f, kcal/mol:	-34.57
Dipole, Da:	3.21
IP(EA), eV:	-9.53(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-phenyl 2-(4-methylphenyl)ethanethioate

Drug info:

PubChemData

Smile

C/C(=N\OC(=O)C)/C1=CC(=CC=C1)Cl

DOS

IR

Vibrations