Geometry & MOs

Info

ID:	48276
PubChem CID:	10538549
Reduced:	BrClNOPC5H12 (1)
Stoich.:	ABCDEF5G12 (1)
Weight, g/mol:	248.042649
ΔH_f, kcal/mol:	-124.81
Dipole, Da:	3.22
IP(EA), eV:	-9.95(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[chloro(phenylsulfanyl)methyl]-4-methylbenzene

Drug info:

PubChemData

Smile

CC(C)(C)NP(=O)(CBr)Cl

DOS

IR

Vibrations