Geometry & MOs

Info

ID:	264982
PubChem CID:	103505908
Reduced:	OSN3C15H21 (1)
Stoich.:	ABC3D15E21 (1)
Weight, g/mol:	342.068355
ΔH_f, kcal/mol:	-23.92
Dipole, Da:	7.06
IP(EA), eV:	-8.02(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-amino-4-methylsulfanyl-5-(4,4,4-trifluorobutylamino)thiophene-2-carboxylate

Drug info:

PubChemData

Smile

C1CC2CN(CC2C1)C3=CC(=C(S3)C(=O)NC4CC4)N

DOS

IR

Vibrations