Geometry & MOs

Info

ID:	384475
PubChem CID:	134977048
Reduced:	ClNOPSC14H21 (1)
Stoich.:	ABCDEF14G21 (1)
Weight, g/mol:	324.12177
ΔH_f, kcal/mol:	-53.25
Dipole, Da:	6.64
IP(EA), eV:	-8.36(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[bromo(tributyl)-lambda5-phosphanyl]ethanone

Drug info:

PubChemData

Smile

CCP(CC)(CC)(C(=S)NC(=O)C1=CC=CC=C1)Cl

DOS

IR

Vibrations