Geometry & MOs

Info

ID:	199138
PubChem CID:	79203550
Reduced:	N2S2O3C14H20 (1)
Stoich.:	A2B2C3D14E20 (1)
Weight, g/mol:	313.134779
ΔH_f, kcal/mol:	-100.21
Dipole, Da:	2.01
IP(EA), eV:	-8.91(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-ethyl-2-(4-hydroxypentanoylamino)-5-methylthiophene-3-carboxylate

Drug info:

PubChemData

Smile

C1COCCC1CNS(=O)(=O)C2=CC=C(C=C2)CC(=S)N

DOS

IR

Vibrations