Geometry & MOs

Info

ID:	384039
PubChem CID:	134976222
Reduced:	P2S4C30H31 (1)
Stoich.:	A2B4C30D31 (1)
Weight, g/mol:	442.09225
ΔH_f, kcal/mol:	132.99
Dipole, Da:	3.54
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.769703
Charge, e:	0

Chem-info

IUPAC name:

(dibutyl-iodo-methyl-lambda5-phosphanyl)-naphthalen-1-ylmethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations