Geometry & MOs

Info

ID:	129351
PubChem CID:	51072345
Reduced:	SN2O5C15H20 (1)
Stoich.:	AB2C5D15E20 (1)
Weight, g/mol:	273.139865
ΔH_f, kcal/mol:	-182.02
Dipole, Da:	3.57
IP(EA), eV:	-9.26(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-(cycloheptylamino)-2-oxoethyl]sulfanylacetate

Drug info:

PubChemData

Smile

CCOC(=O)CSCC(=O)N1CCN(CC1)C(=O)C2=CC=CO2

DOS

IR

Vibrations