Geometry & MOs

Info

ID:	41933
PubChem CID:	8147865
Reduced:	NO5H21C22 (1)
Stoich.:	AB5C21D22 (1)
Weight, g/mol:	398.133851
ΔH_f, kcal/mol:	-133.29
Dipole, Da:	7.85
IP(EA), eV:	-8.28(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)C[C@H](O2)C)/C=C(\CC(=O)O)/C3=NC4=CC=CC=C4O3

DOS

IR

Vibrations