Geometry & MOs

Info

ID:	56343
PubChem CID:	17425134
Reduced:	SN2O4C11H12 (1)
Stoich.:	AB2C4D11E12 (1)
Weight, g/mol:	373.200156
ΔH_f, kcal/mol:	-112.99
Dipole, Da:	7.32
IP(EA), eV:	-10.14(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)CNC1=NS(=O)(=O)C2=CC=CC=C21

DOS

IR

Vibrations