Geometry & MOs

Info

ID:	264979
PubChem CID:	103505792
Reduced:	F2S2N3O3C11H15 (1)
Stoich.:	A2B2C3D3E11F15 (1)
Weight, g/mol:	261.038354
ΔH_f, kcal/mol:	-212.27
Dipole, Da:	4.02
IP(EA), eV:	-8.72(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-amino-4-cyano-5-(2,2-difluoroethylamino)thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C(SC(=C1N)C(=O)NC2CC2)NCC(F)F

DOS

IR

Vibrations