Geometry & MOs

Info

ID:	312192
PubChem CID:	126603549
Reduced:	SC21H28 (1)
Stoich.:	AB21C28 (1)
Weight, g/mol:	244.160935
ΔH_f, kcal/mol:	97.6
Dipole, Da:	1.83
IP(EA), eV:	-6.94(1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[cyclopropyl(sulfanyl)amino]hexan-2-yl]-N-methylacetamide

Drug info:

PubChemData

Smile

C1CC12CC(C2)C34CS56C=CC3C4CC5CC67CC8(C7)CC8

DOS

IR

Vibrations