Geometry & MOs

Info

ID:	128156
PubChem CID:	51033030
Reduced:	F3N3O4C27H30 (1)
Stoich.:	A3B3C4D27E30 (1)
Weight, g/mol:	401.133337
ΔH_f, kcal/mol:	-282.96
Dipole, Da:	4.43
IP(EA), eV:	-8.72(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,4-triphenylphosphinoline-2-carbonitrile

Drug info:

PubChemData

Smile

CC(=C)C[C@H](C(=O)N1CCCC2=CC=CC=C21)NC(=O)[C@H](CC3=CC=C(C=C3)OC)NC(=O)C(F)(F)F

DOS

IR

Vibrations