Geometry & MOs

Info

ID:	427275
PubChem CID:	135156589
Reduced:	N3O7C19H27 (1)
Stoich.:	A3B7C19D27 (1)
Weight, g/mol:	193.042216
ΔH_f, kcal/mol:	-303.86
Dipole, Da:	3.52
IP(EA), eV:	-8.98(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-purin-9-ylethanethioamide

Drug info:

PubChemData

Smile

C[C@@H]1COC2=C(CN1C(=O)OCCOC(=O)C)C=C(C=N2)NC(=O)OC(C)(C)C

DOS

IR

Vibrations