Geometry & MOs

Info

ID:	178136
PubChem CID:	76282889
Reduced:	ClSO2N3H18C20 (1)
Stoich.:	ABC2D3E18F20 (1)
Weight, g/mol:	414.99901
ΔH_f, kcal/mol:	38.94
Dipole, Da:	4.37
IP(EA), eV:	-8.97(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromophenyl)-5-[(5-ethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-1,2-oxazole

Drug info:

PubChemData

Smile

CC(C)(C)C1=CSC2=NC=NC(=C12)OCC3=CC(=NO3)C4=CC=CC=C4Cl

DOS

IR

Vibrations