Geometry & MOs

Info

ID:	125890
PubChem CID:	50942429
Reduced:	ClN2S2F3O3H12C22 (1)
Stoich.:	AB2C2D3E3F12G22 (1)
Weight, g/mol:	514.190752
ΔH_f, kcal/mol:	-172.53
Dipole, Da:	7.13
IP(EA), eV:	-9.05(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,8-ditert-butyl-3-diethoxyphosphoryl-2-(1,1,2,2,2-pentafluoroethyl)-4H-chromen-4-ol

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)N2C(=O)/C(=C/C3=CC=C(N3)C4=CC(=C(C=C4)Cl)C(=O)O)/SC2=S)C(F)(F)F

DOS

IR

Vibrations