Geometry & MOs

Info

ID:	180376
PubChem CID:	76623997
Reduced:	SF5O10C31H40 (1)
Stoich.:	AB5C10D31E40 (1)
Weight, g/mol:	197.017655
ΔH_f, kcal/mol:	-655.76
Dipole, Da:	3.71
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.769527
Charge, e:	0

Chem-info

IUPAC name:

[azido(phenyl)methyl]sulfanylphosphane

Drug info:

PubChemData

Smile

CC(CCC(=O)OCCCC(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C1CCC2C1(C(=O)CC3C2C(=O)CC4C3(CCC(=O)C4)C)C

DOS

IR

Vibrations