Geometry & MOs

Info

ID:	202971
PubChem CID:	79753862
Reduced:	FN3C16H16 (1)
Stoich.:	AB3C16D16 (1)
Weight, g/mol:	298.113984
ΔH_f, kcal/mol:	19.17
Dipole, Da:	3.9
IP(EA), eV:	-8.86(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-carbamothioyl-N-[2-(2-methylphenyl)ethyl]benzamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N=C1CC(C3=CC=C(C=C3)F)N

DOS

IR

Vibrations