Geometry & MOs

Info

ID:	265503
PubChem CID:	103526121
Reduced:	SN2O2C10H14 (1)
Stoich.:	AB2C2D10E14 (1)
Weight, g/mol:	312.075548
ΔH_f, kcal/mol:	-61.79
Dipole, Da:	5.33
IP(EA), eV:	-8.19(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-amino-4-methoxy-5-(3,3,3-trifluoropropylamino)thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1CC1NC2=CC(=C(S2)C(=O)OC)N

DOS

IR

Vibrations