Geometry & MOs

Info

ID:	249258
PubChem CID:	103088113
Reduced:	NSC11H21 (1)
Stoich.:	ABC11D21 (1)
Weight, g/mol:	235.070071
ΔH_f, kcal/mol:	-10.13
Dipole, Da:	1.69
IP(EA), eV:	-8.48(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylsulfanylbutyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine

Drug info:

PubChemData

Smile

CSCCCCNC1CCC=CC1

DOS

IR

Vibrations