Geometry & MOs

Info

ID:	185878
PubChem CID:	77364641
Reduced:	SiN3O7C25H40 (1)
Stoich.:	AB3C7D25E40 (1)
Weight, g/mol:	368.169585
ΔH_f, kcal/mol:	-285.1
Dipole, Da:	5.46
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753454
Charge, e:	0

Chem-info

IUPAC name:

4-[[7-(2,2-dimethylpropyl)-8-methyl-2,6-dioxo-4,5-dihydropurin-3-yl]methoxy]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C(CO[Si](C)C)C1C(NC1=O)CC(=O)C2CN(CCN2C(=O)OCC=C)C(=O)OCC=C

DOS

IR

Vibrations