Geometry & MOs

Info

ID:	317254
PubChem CID:	126635199
Reduced:	FOS2N3C14H16 (1)
Stoich.:	ABC2D3E14F16 (1)
Weight, g/mol:	301.147807
ΔH_f, kcal/mol:	-31.32
Dipole, Da:	1.6
IP(EA), eV:	-8.77(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-fluorophenyl)-3-(pentylamino)benzoic acid

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CN=C(C=C2)F)N(C)C(=O)CCSC

DOS

IR

Vibrations