Geometry & MOs

Info

ID:	373896
PubChem CID:	131321093
Reduced:	ClFSN3H9C10 (1)
Stoich.:	ABCD3E9F10 (1)
Weight, g/mol:	256.991342
ΔH_f, kcal/mol:	12.25
Dipole, Da:	2.29
IP(EA), eV:	-9.49(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-4-(4-chlorofuran-2-yl)thiophene-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)CC2=NC(=NS2)CN)Cl

DOS

IR

Vibrations