Geometry & MOs

Info

ID:	265496
PubChem CID:	103525477
Reduced:	SO3N4C13H20 (1)
Stoich.:	AB3C4D13E20 (1)
Weight, g/mol:	317.086784
ΔH_f, kcal/mol:	-132.75
Dipole, Da:	4.75
IP(EA), eV:	-8.45(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-amino-5-(3-aminopyrrolidin-1-yl)-4-ethylsulfonylthiophen-2-yl]ethanone

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=C(S1)NC2CCNCC2)C(=O)N)N

DOS

IR

Vibrations