Geometry & MOs

Info

ID:	174590
PubChem CID:	75790211
Reduced:	OSN4C11H18 (1)
Stoich.:	ABC4D11E18 (1)
Weight, g/mol:	335.177982
ΔH_f, kcal/mol:	-5.88
Dipole, Da:	6.72
IP(EA), eV:	-9.04(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(5-cyclobutyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-ethyl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(N1CC=C)SC(C)C(=O)N

DOS

IR

Vibrations