Geometry & MOs

Info

ID:	315366
PubChem CID:	126625709
Reduced:	ClO2F5N5H15C24 (1)
Stoich.:	AB2C5D5E15F24 (1)
Weight, g/mol:	471.275802
ΔH_f, kcal/mol:	-180.83
Dipole, Da:	8.26
IP(EA), eV:	-8.7(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-N-tert-butyl-N'-[1,3-diamino-3-(4-fluorophenyl)propyl]carbamimidoyl]-6-morpholin-4-ylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)N=C(NC2=CC(=CC(=C2)Cl)F)NC3=C/C(=C\4/C=CC(=O)C(=C4)F)/NN3)C(F)(F)F

DOS

IR

Vibrations