Geometry & MOs

Info

ID:	385130
PubChem CID:	134978376
Reduced:	OPN2S2F6H25C38 (1)
Stoich.:	ABC2D2E6F25G38 (1)
Weight, g/mol:	392.10249
ΔH_f, kcal/mol:	-179.71
Dipole, Da:	4.74
IP(EA), eV:	-8.29(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(2-formylphenyl)-2,2,2-trimethoxy-1,3,2lambda5-dioxaphospholan-4-yl]benzaldehyde

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)P23(C4=CC=CC=C4C(O2)(C(F)(F)F)C(F)(F)F)C(=C(S3)NC5=CC=CC6=CC=CC=C65)C(=S)NC7=CC=CC8=CC=CC=C87

DOS

IR

Vibrations