Geometry & MOs

Info

ID:	204999
PubChem CID:	80041923
Reduced:	OSN2F3H11C13 (1)
Stoich.:	ABC2D3E11F13 (1)
Weight, g/mol:	306.101369
ΔH_f, kcal/mol:	-158.31
Dipole, Da:	2.89
IP(EA), eV:	-9.15(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-(2-methyl-3-methylsulfanylpropyl)-5-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(F)(F)F)C(=O)NCC2=CSC=C2)N

DOS

IR

Vibrations