Geometry & MOs

Info

ID:	3731
PubChem CID:	10081
Reduced:	SN2O2C13H16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	264.093249
ΔH_f, kcal/mol:	-39.57
Dipole, Da:	4.36
IP(EA), eV:	-9.97(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclohex-2-en-1-yl-5-prop-2-enyl-2-sulfanyl-1H-pyrimidine-4,6-dione

Drug info:

PubChemData

Smile

C=CCC1(C(=O)NC(=NC1=O)S)C2CCCC=C2

DOS

IR

Vibrations