Geometry & MOs

Info

ID:	320360
PubChem CID:	126659783
Reduced:	SC25H32 (1)
Stoich.:	AB25C32 (1)
Weight, g/mol:	295.116821
ΔH_f, kcal/mol:	84.48
Dipole, Da:	1.25
IP(EA), eV:	-8.12(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(oxetan-3-ylmethyl)-3-[[(2R)-oxiran-2-yl]methyl]-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CC(C)C(=C)CC/C=C/C=C\1/C(=C)C(=C(S1)CC(=C)C(=C)C=C)C(=C)C

DOS

IR

Vibrations