Geometry & MOs

Info

ID:	384478
PubChem CID:	134977054
Reduced:	OPSH24C27 (1)
Stoich.:	ABCD24E27 (1)
Weight, g/mol:	384.104595
ΔH_f, kcal/mol:	36.69
Dipole, Da:	5.76
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753318
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[chloro(triphenyl)-lambda5-phosphanyl]propanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)S)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations