Geometry & MOs

Info

ID:	448751
PubChem CID:	135293303
Reduced:	SN2O2C7H16 (1)
Stoich.:	AB2C2D7E16 (1)
Weight, g/mol:	431.156909
ΔH_f, kcal/mol:	-78.03
Dipole, Da:	3.89
IP(EA), eV:	-9.64(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CNS(=O)(=O)C1CNC1

DOS

IR

Vibrations