Geometry & MOs

Info

ID:	202160
PubChem CID:	79637888
Reduced:	SN3O3C13H19 (1)
Stoich.:	AB3C3D13E19 (1)
Weight, g/mol:	303.186815
ΔH_f, kcal/mol:	-119.99
Dipole, Da:	3.86
IP(EA), eV:	-9.53(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(2-methoxyethylsulfanyl)-1-(propan-2-ylamino)cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CCNC1(CCCC(C1)SC2=NC=CC(=O)N2)C(=O)O

DOS

IR

Vibrations