Geometry & MOs

Info

ID:	315373
PubChem CID:	126625745
Reduced:	FO2N6C30H39 (1)
Stoich.:	AB2C6D30E39 (1)
Weight, g/mol:	483.225738
ΔH_f, kcal/mol:	-37.8
Dipole, Da:	6.26
IP(EA), eV:	-8.76(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[N-[1,3-diamino-3-(3-fluoro-4-hydroxyphenyl)propyl]-N'-(2,2-dimethylpropyl)carbamimidoyl]-4-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

C[C@@H](COC)N/C(=N\C1C(C(NN1)C2=CC=C(C=C2)F)C3CCCCCCC3)/NC(=O)C4=CC=CC(=C4)C#N

DOS

IR

Vibrations