Geometry & MOs

Info

ID:	159375
PubChem CID:	57269732
Reduced:	OSN3F7H10C18 (1)
Stoich.:	ABC3D7E10F18 (1)
Weight, g/mol:	218.122438
ΔH_f, kcal/mol:	-272.56
Dipole, Da:	5.32
IP(EA), eV:	-9.21(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-7-phenyl-7-phosphabicyclo[2.2.1]heptane

Drug info:

PubChemData

Smile

CN1C(=C(C(=N1)C(F)(F)F)N(C=O)C2=C(C(=C(C=C2)F)F)F)SC3=CC=C(C=C3)F

DOS

IR

Vibrations