Geometry & MOs

Info

ID:	197679
PubChem CID:	78987115
Reduced:	N2O3C12H26 (1)
Stoich.:	A2B3C12D26 (1)
Weight, g/mol:	238.052447
ΔH_f, kcal/mol:	-153.17
Dipole, Da:	1.4
IP(EA), eV:	-9.15(1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-(7H-purin-6-ylsulfanyl)propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)NCC(=O)N(CCOC)CCOC

DOS

IR

Vibrations