Geometry & MOs

Info

ID:	249257
PubChem CID:	103088111
Reduced:	FCl2N2O2S2C10H11 (1)
Stoich.:	AB2C2D2E2F10G11 (1)
Weight, g/mol:	199.139471
ΔH_f, kcal/mol:	-104.33
Dipole, Da:	6.47
IP(EA), eV:	-8.86(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylsulfanylbutyl)cyclohex-3-en-1-amine

Drug info:

PubChemData

Smile

CCC(C(=S)N)NS(=O)(=O)C1=C(C(=C(C=C1)Cl)F)Cl

DOS

IR

Vibrations