Geometry & MOs

Info

ID:	58426
PubChem CID:	24701252
Reduced:	FNO4H8C12 (1)
Stoich.:	ABC4D8E12 (1)
Weight, g/mol:	287.098
ΔH_f, kcal/mol:	-155.31
Dipole, Da:	4.49
IP(EA), eV:	-9.37(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methoxy-4-methylphenoxy)methyl]benzenecarbothioamide

Drug info:

PubChemData

Smile

C1=COC(=C1)C(=O)NC2=C(C=C(C=C2)F)C(=O)O

DOS

IR

Vibrations