Geometry & MOs

Info

ID:	194203
PubChem CID:	78497040
Reduced:	O2S2N5C11H17 (1)
Stoich.:	A2B2C5D11E17 (1)
Weight, g/mol:	246.103814
ΔH_f, kcal/mol:	-58.01
Dipole, Da:	5.82
IP(EA), eV:	-9.45(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-dioxolan-2-ylmethylsulfanyl)-6-ethyl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CCC1CC(=O)NC(N1)SCC(=O)NC2=NN=C(S2)C

DOS

IR

Vibrations