Geometry & MOs

Info

ID:	264018
PubChem CID:	103417297
Reduced:	N2S2O3C13H20 (1)
Stoich.:	A2B2C3D13E20 (1)
Weight, g/mol:	301.109627
ΔH_f, kcal/mol:	-141.09
Dipole, Da:	5.43
IP(EA), eV:	-8.22(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-amino-5-[2-methoxyethyl(methyl)amino]-4-(methylcarbamoyl)thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=C(S1)N2CCC(C2)(C)O)SC)N

DOS

IR

Vibrations