Geometry & MOs

Info

ID:	444861
PubChem CID:	135263767
Reduced:	ISN3O4H16C21 (1)
Stoich.:	ABC3D4E16F21 (1)
Weight, g/mol:	205.050395
ΔH_f, kcal/mol:	-51.91
Dipole, Da:	7.74
IP(EA), eV:	-8.98(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2H-pyridin-1-yl)ethyl dihydrogen phosphate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2N=CC(=C3)C4=CC(=CC=C4)OC(=O)N)I

DOS

IR

Vibrations