Geometry & MOs

Info

ID:	176660
PubChem CID:	76080311
Reduced:	OSN5C18H21 (1)
Stoich.:	ABC5D18E21 (1)
Weight, g/mol:	397.115296
ΔH_f, kcal/mol:	47.74
Dipole, Da:	5.03
IP(EA), eV:	-8.94(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(6-chloropurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-hydroxymethyl]propanamide

Drug info:

PubChemData

Smile

CC1C(=O)C(=C(N=C1NCC(CC2=CSC=N2)N)C3=CC=NC=C3)C

DOS

IR

Vibrations