Geometry & MOs

Info

ID:	264079
PubChem CID:	103426282
Reduced:	SN4C15H22 (1)
Stoich.:	AB4C15D22 (1)
Weight, g/mol:	318.107185
ΔH_f, kcal/mol:	53.02
Dipole, Da:	8.74
IP(EA), eV:	-8.2(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-amino-5-(3-ethoxypropylamino)-4-methylsulfanylthiophene-2-carboxylate

Drug info:

PubChemData

Smile

CCN1CCCC1CNC2=C(C(=C(S2)C#N)N)C3CC3

DOS

IR

Vibrations