Geometry & MOs

Info

ID:	291989
PubChem CID:	114000446
Reduced:	SO4C13H22 (1)
Stoich.:	AB4C13D22 (1)
Weight, g/mol:	257.14495
ΔH_f, kcal/mol:	-168.4
Dipole, Da:	4.63
IP(EA), eV:	-8.47(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[1-[[2-cyclopropyl-2-(methylamino)ethyl]sulfanylmethyl]cyclopropyl]acetate

Drug info:

PubChemData

Smile

CC1CCC(O1)CS(=O)CC2(CC2)CC(=O)OC

DOS

IR

Vibrations