Geometry & MOs

Info

ID:	425587
PubChem CID:	135126812
Reduced:	S2O3N5C21H29 (1)
Stoich.:	A2B3C5D21E29 (1)
Weight, g/mol:	404.184841
ΔH_f, kcal/mol:	-48.9
Dipole, Da:	7.2
IP(EA), eV:	-8.55(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-1-[2-(cyclohexen-1-yl)ethyl]-2-hydroxy-5-[(2-phenylpyrimidin-5-yl)methylidene]-1,3-diazinane-4,6-dione

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=NN3C(C(C(=O)N=C3S2)CC4=CC=C(O4)SCC5CCCO5)N

DOS

IR

Vibrations