Geometry & MOs

Info

ID:	25745
PubChem CID:	630108
Reduced:	O5C29H44 (1)
Stoich.:	A5B29C44 (1)
Weight, g/mol:	329.000335
ΔH_f, kcal/mol:	-279.0
Dipole, Da:	2.5
IP(EA), eV:	-9.42(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-amino-5-(2-methoxy-2-oxoethyl)sulfanyl-4-(trifluoromethyl)thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1CC(=O)C2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC(=O)C)C)C)C)OC1

DOS

IR

Vibrations