Geometry & MOs

Info

ID:	232078
PubChem CID:	87575396
Reduced:	ClO2C3F3 (1)
Stoich.:	AB2C3D3 (1)
Weight, g/mol:	365.153955
ΔH_f, kcal/mol:	-137.93
Dipole, Da:	1.69
IP(EA), eV:	-10.68(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyano-[(2S)-2-[4-(4-cyano-3-fluorophenyl)phenyl]-3,3-dimethylbutyl]carbamic acid

Drug info:

PubChemData

Smile

C(=C(F)F)(C(=O)OF)Cl

DOS

IR

Vibrations