Geometry & MOs

Info

ID:	204378
PubChem CID:	79957301
Reduced:	SN3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	283.104228
ΔH_f, kcal/mol:	49.87
Dipole, Da:	6.71
IP(EA), eV:	-8.18(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-fluoro-2-[(2-methylthian-3-yl)amino]benzoate

Drug info:

PubChemData

Smile

CC1C(CCCS1)NC2=CC=C(C=C2)C3=CC=NN3

DOS

IR

Vibrations