Geometry & MOs

Info

ID:	188943
PubChem CID:	77790048
Reduced:	FSiC28H32 (1)
Stoich.:	ABC28D32 (1)
Weight, g/mol:	369.143704
ΔH_f, kcal/mol:	9.95
Dipole, Da:	0.52
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751312
Charge, e:	0

Chem-info

IUPAC name:

[1-[(9-acetyl-6-oxo-5H-purin-2-yl)amino]-3-phenylpropan-2-yl] acetate

Drug info:

PubChemData

Smile

CCCCC[Si]1CCC(CC1)C2=CC=CC(=C2)C3=CC=CC=C3C4=CC(=CC=C4)F

DOS

IR

Vibrations