Geometry & MOs

Info

ID:	348799
PubChem CID:	127274447
Reduced:	SN2O3C15H28 (1)
Stoich.:	AB2C3D15E28 (1)
Weight, g/mol:	375.22704
ΔH_f, kcal/mol:	-161.0
Dipole, Da:	3.06
IP(EA), eV:	-9.2(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-ethyl-N-(2-methylcyclohexyl)propanamide

Drug info:

PubChemData

Smile

CCN(C1CCCCC1C)C(=O)CCN2CCCS2(=O)=O

DOS

IR

Vibrations