Geometry & MOs

Info

ID:	397302
PubChem CID:	135030016
Reduced:	NOSH15C17 (1)
Stoich.:	ABCD15E17 (1)
Weight, g/mol:	425.24269
ΔH_f, kcal/mol:	39.94
Dipole, Da:	3.28
IP(EA), eV:	-8.89(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,5R,8aR)-5-[(E)-5-[6-(hydroxyamino)purin-7-yl]-3-methylpent-2-enyl]-5,8a-dimethyl-2,3,4,4a,7,8-hexahydronaphthalene-1,6-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=NC=C(O2)CSC3=CC=CC=C3

DOS

IR

Vibrations