Geometry & MOs

Info

ID:	313004
PubChem CID:	126610685
Reduced:	SF2N3O3H9C12 (1)
Stoich.:	AB2C3D3E9F12 (1)
Weight, g/mol:	468.07012
ΔH_f, kcal/mol:	-140.77
Dipole, Da:	4.65
IP(EA), eV:	-8.86(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3-bromobenzoyl)phenyl] dibutyl phosphate

Drug info:

PubChemData

Smile

CC(=O)CSC1=NNC(=N1)C2=CC3=C(C=C2)OC(O3)(F)F

DOS

IR

Vibrations