Geometry & MOs

Info

ID:	181486
PubChem CID:	76750161
Reduced:	FN2S2O3H15C17 (1)
Stoich.:	AB2C2D3E15F17 (1)
Weight, g/mol:	590.185174
ΔH_f, kcal/mol:	-102.17
Dipole, Da:	7.22
IP(EA), eV:	-9.29(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-hydroxybutan-2-yloxy)-N-[5-[[methyl(propan-2-yloxy)phosphoryl]methyl]pyridin-2-yl]-5-(4-methylsulfonylphenoxy)benzamide

Drug info:

PubChemData

Smile

CCSC(=O)CC1=NC2=C(S1)C(=O)C(=C(C3=CN=C(C=C3)F)O)CC2

DOS

IR

Vibrations