Geometry & MOs

Info

ID:	397334
PubChem CID:	135030063
Reduced:	ClNOH14C18 (1)
Stoich.:	ABCD14E18 (1)
Weight, g/mol:	472.224119
ΔH_f, kcal/mol:	13.75
Dipole, Da:	4.76
IP(EA), eV:	-8.91(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1'R,4'aR,8'aR)-1'-[(E)-5-(6-chloropurin-7-yl)-3-methylpent-2-enyl]-1',4'a-dimethylspiro[1,3-dioxolane-2,5'-3,4,6,7,8,8a-hexahydronaphthalene]-2'-one

Drug info:

PubChemData

Smile

CC(C)C1=C2C3=CC=CC=C3C(=O)N2C4=C1C=C(C=C4)Cl

DOS

IR

Vibrations