Geometry & MOs

Info

ID:	264983
PubChem CID:	103505993
Reduced:	N2O2S2F3C12H17 (1)
Stoich.:	A2B2C2D3E12F17 (1)
Weight, g/mol:	297.075882
ΔH_f, kcal/mol:	-259.45
Dipole, Da:	4.82
IP(EA), eV:	-8.47(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-methoxy-5-(4,4,4-trifluorobutylamino)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=C(S1)NCCCC(F)(F)F)SC)N

DOS

IR

Vibrations