Geometry & MOs

Info

ID:	174991
PubChem CID:	75842871
Reduced:	SN2O4C16H24 (1)
Stoich.:	AB2C4D16E24 (1)
Weight, g/mol:	376.149501
ΔH_f, kcal/mol:	-131.79
Dipole, Da:	5.32
IP(EA), eV:	-8.88(0.74)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(5,6-dimethyl-4-oxo-4aH-thieno[2,3-d]pyrimidin-2-yl)ethyl-[1-(5-fluoro-2-methoxyphenyl)ethyl]azanium

Drug info:

PubChemData

Smile

CC(C1=CC=CO1)N(C2CC2)C(=O)C3CCCN(C3)S(=O)(=O)C

DOS

IR

Vibrations