Geometry & MOs

Info

ID:	229373
PubChem CID:	87567496
Reduced:	SN4O5C26H28 (1)
Stoich.:	AB4C5D26E28 (1)
Weight, g/mol:	336.093817
ΔH_f, kcal/mol:	-96.59
Dipole, Da:	14.62
IP(EA), eV:	-8.86(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)ON2CCC[C@H](C2)C3=CC=C(C=C3)N4C=C5C=CC=C(C5=N4)C(=O)N.O

DOS

IR

Vibrations