Geometry & MOs

Info

ID:	448767
PubChem CID:	135293469
Reduced:	O2F4N7H19C21 (1)
Stoich.:	A2B4C7D19E21 (1)
Weight, g/mol:	433.152573
ΔH_f, kcal/mol:	-59.74
Dipole, Da:	5.84
IP(EA), eV:	-8.44(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N'-diamino-N-[2-(2,4-difluorophenyl)-3,3-difluoro-3-(5-phenoxypyridin-2-yl)propyl]methanimidamide

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)COC2=CN=C(C=C2)C(C(CN(/C=N\N)N)(C3=C(C=C(C=C3)F)F)N=O)(F)F

DOS

IR

Vibrations