Geometry & MOs

Info

ID:	56469
PubChem CID:	17435747
Reduced:	SO3N5C15H19 (1)
Stoich.:	AB3C5D15E19 (1)
Weight, g/mol:	358.074068
ΔH_f, kcal/mol:	-25.54
Dipole, Da:	4.48
IP(EA), eV:	-9.02(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-difluoro-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NCC3CCCO3

DOS

IR

Vibrations