Geometry & MOs

Info

ID:	73845
PubChem CID:	48420687
Reduced:	O2N4H22C23 (1)
Stoich.:	A2B4C22D23 (1)
Weight, g/mol:	398.049191
ΔH_f, kcal/mol:	25.55
Dipole, Da:	2.86
IP(EA), eV:	-9.11(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[phenyl(pyridin-4-yl)methyl] 3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=CC=NN12)C)CCC(=O)OC(C3=CC=CC=C3)C4=CC=NC=C4

DOS

IR

Vibrations