Geometry & MOs

Info

ID:	191685
PubChem CID:	78177560
Reduced:	SO6N8C16H16 (1)
Stoich.:	AB6C8D16E16 (1)
Weight, g/mol:	376.138284
ΔH_f, kcal/mol:	-115.45
Dipole, Da:	7.73
IP(EA), eV:	-9.31(-2.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetyloxybenzoic acid;1,3,7-trimethyl-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

C1=C(SC(=N1)NCC2=NC3C(=NC(=NC3=O)N)N=C2)C(=O)NC(CCC(=O)O)C(=O)O

DOS

IR

Vibrations