Geometry & MOs

Info

ID:	41906
PubChem CID:	8147780
Reduced:	SF2N3O3C18H23 (1)
Stoich.:	AB2C3D3E18F23 (1)
Weight, g/mol:	386.153838
ΔH_f, kcal/mol:	-183.38
Dipole, Da:	7.85
IP(EA), eV:	-9.1(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(6-methoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-[(1S)-2-methyl-1-phenylpropyl]azanium

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CN=C(C=C1)N(C)CC2=CC=C(C=C2)OC(F)F

DOS

IR

Vibrations