Geometry & MOs

Info

ID:	237231
PubChem CID:	92717947
Reduced:	ClN3O3H26C27 (1)
Stoich.:	AB3C3D26E27 (1)
Weight, g/mol:	439.100205
ΔH_f, kcal/mol:	-68.11
Dipole, Da:	4.63
IP(EA), eV:	-9.52(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(4-fluorophenyl)methoxy]benzoate

Drug info:

PubChemData

Smile

CCC[C@]1(C(=O)N(C(=O)N1)CC(=O)N[C@@H](C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

DOS

IR

Vibrations