Geometry & MOs

Info

ID:	264980
PubChem CID:	103505800
Reduced:	SF2O2N3C9H9 (1)
Stoich.:	AB2C2D3E9F9 (1)
Weight, g/mol:	294.12628
ΔH_f, kcal/mol:	-143.37
Dipole, Da:	0.72
IP(EA), eV:	-8.91(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-5-cyano-N-methyl-2-[(4-methylpiperazin-1-yl)amino]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1=C(C(=C(S1)NCC(F)F)C#N)N

DOS

IR

Vibrations