Geometry & MOs

Info

ID:	154776
PubChem CID:	56314298
Reduced:	OF2N2C21H22 (1)
Stoich.:	AB2C2D21E22 (1)
Weight, g/mol:	371.096698
ΔH_f, kcal/mol:	-104.66
Dipole, Da:	7.31
IP(EA), eV:	-8.57(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-fluorophenyl)-2-methylpropyl]-2-(trifluoromethylsulfanyl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1)C=CC(=C2)F)CC(=O)NCC(C)(C)C3=CC=CC=C3F

DOS

IR

Vibrations