Geometry & MOs

Info

ID:	41631
PubChem CID:	8146637
Reduced:	O2S2N3H17C18 (1)
Stoich.:	A2B2C3D17E18 (1)
Weight, g/mol:	370.102551
ΔH_f, kcal/mol:	8.02
Dipole, Da:	4.7
IP(EA), eV:	-8.6(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[5-(4-fluorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-[(1S)-1-(furan-2-yl)ethyl]azanium

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CO1)N[C@H](C)C2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2

DOS

IR

Vibrations