Geometry & MOs

Info

ID:	292301
PubChem CID:	114916247
Reduced:	S2N3O3C13H15 (1)
Stoich.:	A2B3C3D13E15 (1)
Weight, g/mol:	297.139865
ΔH_f, kcal/mol:	-63.8
Dipole, Da:	3.43
IP(EA), eV:	-8.88(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methyl-3-(2-propylpentanoylamino)thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CCCC1=C(SN=N1)C(=O)NC2=C(SC=C2C)C(=O)OC

DOS

IR

Vibrations