Geometry & MOs

Info

ID:	434924
PubChem CID:	135176019
Reduced:	ClSF2N3O4C34H38 (1)
Stoich.:	ABC2D3E4F34G38 (1)
Weight, g/mol:	306.050034
ΔH_f, kcal/mol:	-201.7
Dipole, Da:	5.25
IP(EA), eV:	-9.33(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-3,3-difluoro-2-[[(1S)-2-methoxy-1-phosphanylethyl]amino]propanenitrile

Drug info:

PubChemData

Smile

C1CCC(CC1)COC2=CC=C(C=C2)S(=O)(=O)NC(C(=O)N3CC4CC(C3)C4N)C(C5=CC=C(C=C5)C6=CC=C(C=C6)Cl)(F)F

DOS

IR

Vibrations