Geometry & MOs

Info

ID:	31487
PubChem CID:	855780
Reduced:	NOC8H9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	308.14193
ΔH_f, kcal/mol:	-54.39
Dipole, Da:	3.42
IP(EA), eV:	-8.82(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-amino-7H-purin-8-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C3CC3)C(=O)C

DOS

IR

Vibrations