Geometry & MOs

Info

ID:	229228
PubChem CID:	87567222
Reduced:	ClSO2N4C24H27 (1)
Stoich.:	ABC2D4E24F27 (1)
Weight, g/mol:	271.077359
ΔH_f, kcal/mol:	-48.88
Dipole, Da:	3.15
IP(EA), eV:	-8.76(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butan-2-yloxy-[(4-cyano-3-fluorophenyl)methyl]phosphinic acid

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C2=CSC(=N2)NCC3CCC4(CC3)CN(C(=O)O4)C5=CC=CC=C5.Cl

DOS

IR

Vibrations