Geometry & MOs

Info

ID:	174591
PubChem CID:	75790244
Reduced:	OSN5C16H25 (1)
Stoich.:	ABC5D16E25 (1)
Weight, g/mol:	284.130697
ΔH_f, kcal/mol:	13.91
Dipole, Da:	9.57
IP(EA), eV:	-8.95(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CCC1NC(CC(=O)N1)CSC2=NN=C(N2CC=C)C3CCC3

DOS

IR

Vibrations