Geometry & MOs

Info

ID:	133612
PubChem CID:	51562348
Reduced:	ClFNOC16H19 (1)
Stoich.:	ABCDE16F19 (1)
Weight, g/mol:	253.049052
ΔH_f, kcal/mol:	-77.88
Dipole, Da:	4.37
IP(EA), eV:	-8.86(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

hydroxy-[(R)-phenyl-(1H-1,2,4-triazol-5-ylamino)methyl]phosphinate

Drug info:

PubChemData

Smile

CC(=C[C@@H]1[C@@H](C1(C)C)C(=O)NC2=C(C=C(C=C2)Cl)F)C

DOS

IR

Vibrations