Geometry & MOs

Info

ID:	326792
PubChem CID:	126688209
Reduced:	FO3N6H15C16 (1)
Stoich.:	AB3C6D15E16 (1)
Weight, g/mol:	204.001002
ΔH_f, kcal/mol:	-53.69
Dipole, Da:	4.09
IP(EA), eV:	-9.07(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methylsulfanyl(phenoxy)phosphinic acid

Drug info:

PubChemData

Smile

C1CC1C(CC(=O)O)NC2=NC(=NC=C2F)C3=CN4C(=NNC4=O)C=C3

DOS

IR

Vibrations