Geometry & MOs

Info

ID:	383542
PubChem CID:	134975327
Reduced:	PSN4O5C15H21 (1)
Stoich.:	ABC4D5E15F21 (1)
Weight, g/mol:	367.100716
ΔH_f, kcal/mol:	-158.58
Dipole, Da:	8.96
IP(EA), eV:	-8.76(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1,3-benzoxazol-2-ylsulfanyl)-3-methylbut-2-enyl]-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide

Drug info:

PubChemData

Smile

CC(=C(CP=O)SC1=NC=NC2=C1N=CN2[C@H]3C(C([C@H](O3)CO)O)O)C

DOS

IR

Vibrations