Geometry & MOs

Info

ID:	315394
PubChem CID:	126625843
Reduced:	O2N5F6C26H35 (1)
Stoich.:	A2B5C6D26E35 (1)
Weight, g/mol:	407.193295
ΔH_f, kcal/mol:	-376.67
Dipole, Da:	5.2
IP(EA), eV:	-9.36(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-N'-[1,3-diamino-3-(3,5-difluorophenyl)propyl]-N-propan-2-ylcarbamimidoyl]-4-fluorobenzamide

Drug info:

PubChemData

Smile

C1CCCC2(CCC1)C(NNC2/N=C(/NC3CCC(CC3)O)\NC(=O)C4=CC=C(C=C4)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations