Geometry & MOs

Info

ID:	298997
PubChem CID:	117665921
Reduced:	OSN6H28C30 (1)
Stoich.:	ABC6D28E30 (1)
Weight, g/mol:	398.146427
ΔH_f, kcal/mol:	91.83
Dipole, Da:	4.39
IP(EA), eV:	-8.71(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dimethylthiophen-3-yl)-4-fluoro-N'-hydroxy-3-(4-hydroxyphenyl)-5-propylbenzenecarboximidamide

Drug info:

PubChemData

Smile

C1CN(CC2=C1C3=C(N=C(N=C3S2)C4=CC=NC=C4)NC[C@@H](CC5=CC=CC=C5)N)C(=O)C6=CC=CC=C6

DOS

IR

Vibrations