Geometry & MOs

Info

ID:	191559
PubChem CID:	78163968
Reduced:	ClON5C18H18 (1)
Stoich.:	ABC5D18E18 (1)
Weight, g/mol:	491.057991
ΔH_f, kcal/mol:	80.26
Dipole, Da:	7.93
IP(EA), eV:	-8.62(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[4-[6-(1-aminocyclopropyl)pyridin-3-yl]phenyl]-2-[(2,2-dichloroacetyl)amino]-3-fluoropropyl] dihydrogen phosphate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C=NC2C(C(NN2)NC3=CC=C(C=C3)Cl)C#N

DOS

IR

Vibrations