Geometry & MOs

Info

ID:	197649
PubChem CID:	78984067
Reduced:	OSF2N2H12C14 (1)
Stoich.:	ABC2D2E12F14 (1)
Weight, g/mol:	286.113984
ΔH_f, kcal/mol:	-81.99
Dipole, Da:	6.26
IP(EA), eV:	-8.6(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-aminophenyl)methyl]-N-methyl-2-methylsulfanylbenzamide

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)C(=O)NC2=C(C=C(C(=C2)N)F)F

DOS

IR

Vibrations