Geometry & MOs

Info

ID:	201568
PubChem CID:	79557294
Reduced:	NSO2C17H29 (1)
Stoich.:	ABC2D17E29 (1)
Weight, g/mol:	313.20755
ΔH_f, kcal/mol:	-106.25
Dipole, Da:	5.98
IP(EA), eV:	-8.59(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-(cyclopentylmethylsulfanyl)ethyl]-1-(methylamino)cyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

C1CCC(C1)CSCCC2CCCC2(C(=O)O)NC3CC3

DOS

IR

Vibrations