Geometry & MOs

Info

ID:	264054
PubChem CID:	103422023
Reduced:	OSN4C14H22 (1)
Stoich.:	ABC4D14E22 (1)
Weight, g/mol:	298.117356
ΔH_f, kcal/mol:	4.76
Dipole, Da:	8.16
IP(EA), eV:	-8.28(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-amino-5-[cyclopentylmethyl(methyl)amino]-4-methylsulfanylthiophen-2-yl]ethanone

Drug info:

PubChemData

Smile

CCN(CC)C1CCN(C1)C2=C(C(=C(S2)C#N)N)OC

DOS

IR

Vibrations