Geometry & MOs

Info

ID:	170211
PubChem CID:	75208541
Reduced:	SN2O3C17H24 (1)
Stoich.:	AB2C3D17E24 (1)
Weight, g/mol:	447.32094
ΔH_f, kcal/mol:	-104.09
Dipole, Da:	3.78
IP(EA), eV:	-9.36(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-butyl-7-(2-methylpropyl)-2,6-dioxo-4,5-dihydropurin-8-yl]-N-(2,3-dimethylcyclohexyl)propanamide

Drug info:

PubChemData

Smile

CC1CC(CN(C1)C(=O)C=CC2=CC=C(C=C2)S(=O)(=O)NC)C

DOS

IR

Vibrations