Geometry & MOs

Info

ID:	425318
PubChem CID:	135125913
Reduced:	ISF2O2N3C11H12 (1)
Stoich.:	ABC2D2E3F11G12 (1)
Weight, g/mol:	319.095076
ΔH_f, kcal/mol:	-114.12
Dipole, Da:	4.34
IP(EA), eV:	-9.56(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-[(2R)-2-chloro-2-cyclopropylethyl]phenyl]ethyl]-2,2,2-trifluoroacetamide

Drug info:

PubChemData

Smile

CC1(CS(=O)(=O)N(C(=N1)N)C)C2=C(C(=CC(=C2)I)F)F

DOS

IR

Vibrations