Geometry & MOs

Info

ID:	329260
PubChem CID:	126733452
Reduced:	F2N5C19H23 (1)
Stoich.:	A2B5C19D23 (1)
Weight, g/mol:	337.193233
ΔH_f, kcal/mol:	-35.79
Dipole, Da:	6.14
IP(EA), eV:	-8.86(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-amino-N'-(2-tert-butyl-4,5-dihydroxypentyl)-N-(1-chloropropyl)-2-fluoroprop-2-enimidamide

Drug info:

PubChemData

Smile

CCC[C@H](C(C)(C)C)NC1=NC(=NC=C1F)C2=CNC3=C2C=C(C=N3)F

DOS

IR

Vibrations