Geometry & MOs

Info

ID:	194192
PubChem CID:	78497029
Reduced:	SO2N3C13H23 (1)
Stoich.:	AB2C3D13E23 (1)
Weight, g/mol:	303.125277
ΔH_f, kcal/mol:	-120.69
Dipole, Da:	4.43
IP(EA), eV:	-9.0(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[2-[(4-ethyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]acetyl]amino]acetate

Drug info:

PubChemData

Smile

CCC1CC(=O)NC(N1)SCC(=O)NC2CCCC2

DOS

IR

Vibrations