Geometry & MOs

Info

ID:	315278
PubChem CID:	126625385
Reduced:	OCl2F2N5H21C23 (1)
Stoich.:	AB2C2D5E21F23 (1)
Weight, g/mol:	391.163138
ΔH_f, kcal/mol:	-63.02
Dipole, Da:	1.75
IP(EA), eV:	-9.29(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[(E)-N-[(2R)-1-hydroxypropan-2-yl]-N'-[5-(trifluoromethyl)pyrazolidin-3-yl]carbamimidoyl]-3-methylbenzamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(CC(N)/N=C(\NC2=CC(=CC(=C2)Cl)F)/NC(=O)C3=CC=C(C=C3)Cl)N)F

DOS

IR

Vibrations