Geometry & MOs

Info

ID:	41927
PubChem CID:	8147845
Reduced:	NO4H19C23 (1)
Stoich.:	AB4C19D23 (1)
Weight, g/mol:	408.154587
ΔH_f, kcal/mol:	-71.17
Dipole, Da:	4.72
IP(EA), eV:	-8.58(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

CCOC1=C(C2=CC=CC=C2C=C1)/C=C(\CC(=O)O)/C3=NC4=CC=CC=C4O3

DOS

IR

Vibrations