Geometry & MOs

Info

ID:	144574
PubChem CID:	53386703
Reduced:	NOH17C23 (1)
Stoich.:	ABC17D23 (1)
Weight, g/mol:	336.133474
ΔH_f, kcal/mol:	81.24
Dipole, Da:	3.08
IP(EA), eV:	-8.9(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,6R,7aR)-6-(6-aminopurin-9-yl)-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one

Drug info:

PubChemData

Smile

C1C2=C(C=CC(=C2)C(C#CC3=CC=CC=C3)C4=CC=CC=C4)NC1=O

DOS

IR

Vibrations