Geometry & MOs

Info

ID:	186928
PubChem CID:	77506499
Reduced:	ClFSN6O8C29H34 (1)
Stoich.:	ABCD6E8F29G34 (1)
Weight, g/mol:	223.070539
ΔH_f, kcal/mol:	-335.56
Dipole, Da:	5.18
IP(EA), eV:	-9.12(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-8-(2-methoxyacetyl)-5,9-dihydropurin-6-one

Drug info:

PubChemData

Smile

C1COCC(=O)N1C2=CC(=C(C=C2)N3CC(OC3=O)CN(C(=O)CCCCNC(CCC(=O)N)C(=O)N)C(=O)C4=CC=C(S4)Cl)F

DOS

IR

Vibrations