Geometry & MOs

Info

ID:	189854
PubChem CID:	77915539
Reduced:	SN3O3C14H21 (1)
Stoich.:	AB3C3D14E21 (1)
Weight, g/mol:	304.164774
ΔH_f, kcal/mol:	-85.13
Dipole, Da:	3.4
IP(EA), eV:	-8.71(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[2-amino-6-(propan-2-ylamino)purin-9-yl]methylidene]-1-(hydroxymethyl)cyclopropyl]methanol

Drug info:

PubChemData

Smile

CSCCC(C(=O)NO)NC(=O)NCCC1=CC=CC=C1

DOS

IR

Vibrations