Geometry & MOs

Info

ID:	201984
PubChem CID:	79613691
Reduced:	SN2O2C15H18 (1)
Stoich.:	AB2C2D15E18 (1)
Weight, g/mol:	298.038769
ΔH_f, kcal/mol:	-35.3
Dipole, Da:	4.33
IP(EA), eV:	-8.83(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-(difluoromethoxy)-3-fluoroanilino]methyl]thiophene-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)OC)NCC2=CC(=CS2)C(=O)N

DOS

IR

Vibrations