Geometry & MOs

Info

ID:	81899
PubChem CID:	49855327
Reduced:	SN2F3O5C15H15 (1)
Stoich.:	AB2C3D5E15F15 (1)
Weight, g/mol:	310.092912
ΔH_f, kcal/mol:	-297.41
Dipole, Da:	13.47
IP(EA), eV:	-9.68(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-amino-2-methyl-4-(trifluoromethyl)benzoyl]-3-cyclopropyl-3-oxopropanenitrile

Drug info:

PubChemData

Smile

CCN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)C(F)(F)F)S(=O)(=O)C)OC

DOS

IR

Vibrations