Geometry & MOs

Info

ID:	315279
PubChem CID:	126625386
Reduced:	O2F4N5C16H21 (1)
Stoich.:	A2B4C5D16E21 (1)
Weight, g/mol:	501.272688
ΔH_f, kcal/mol:	-248.78
Dipole, Da:	8.81
IP(EA), eV:	-9.09(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[(E)-N-[(2R)-1-hydroxypropan-2-yl]-N'-[1-(trifluoromethyl)-2,3-diazaspiro[4.8]tridecan-4-yl]carbamimidoyl]-3-methylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N/C(=N/C2CC(NN2)C(F)(F)F)/N[C@H](C)CO)F

DOS

IR

Vibrations