Geometry & MOs

Info

ID:	27521
PubChem CID:	821784
Reduced:	ON2Cl3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	256.092186
ΔH_f, kcal/mol:	-63.85
Dipole, Da:	4.98
IP(EA), eV:	-9.56(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzylsulfanyl-1-(4-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)N[C@H](C(Cl)(Cl)Cl)NC(C)C

DOS

IR

Vibrations