Geometry & MOs

Info

ID:	203823
PubChem CID:	79875283
Reduced:	SN2O3C11H20 (1)
Stoich.:	AB2C3D11E20 (1)
Weight, g/mol:	266.126657
ΔH_f, kcal/mol:	-136.97
Dipole, Da:	2.67
IP(EA), eV:	-8.88(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4,4-dimethylcyclohexyl)-2,4-dioxopyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1CCCC(N1)CN2C(=O)C(S2(=O)=O)(C)C

DOS

IR

Vibrations