Geometry & MOs

Info

ID:	150444
PubChem CID:	53790134
Reduced:	ClSO2N4C15H19 (1)
Stoich.:	ABC2D4E15F19 (1)
Weight, g/mol:	396.145024
ΔH_f, kcal/mol:	46.56
Dipole, Da:	2.74
IP(EA), eV:	-9.36(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[diethoxyphosphoryl-(pyridin-4-ylamino)methyl]-2,6-dimethoxyphenol

Drug info:

PubChemData

Smile

C=CC(C[N+](=O)[O-])SCCC1=NCCN1CC2=CN=C(C=C2)Cl

DOS

IR

Vibrations