Geometry & MOs

Info

ID:	218517
PubChem CID:	85089559
Reduced:	O4N5C26H29 (1)
Stoich.:	A4B5C26D29 (1)
Weight, g/mol:	474.95302
ΔH_f, kcal/mol:	-112.52
Dipole, Da:	1.93
IP(EA), eV:	-8.67(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl 2-[3-[(4-bromo-2-fluorophenyl)methyl]-6-chloro-2,4-dioxo-4aH-thieno[2,3-d]pyrimidin-1-ium-1-yl]acetate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)CCC3=NC4=CC=CC=C4N3

DOS

IR

Vibrations