Geometry & MOs

Info

ID:	246137
PubChem CID:	103046602
Reduced:	ClFN2S2C14H18 (1)
Stoich.:	ABC2D2E14F18 (1)
Weight, g/mol:	295.023391
ΔH_f, kcal/mol:	-32.72
Dipole, Da:	3.09
IP(EA), eV:	-8.76(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-chloro-2-fluorophenyl)methoxy]benzenecarbothioamide

Drug info:

PubChemData

Smile

CSC1(CCN(CC1)CC2=C(C=CC(=C2)Cl)F)C(=S)N

DOS

IR

Vibrations