Geometry & MOs

Info

ID:	176444
PubChem CID:	76050338
Reduced:	N2O4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	345.114713
ΔH_f, kcal/mol:	-164.61
Dipole, Da:	5.83
IP(EA), eV:	-8.81(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(6-ethyl-4-oxo-2,3,4a,7a-tetrahydro-1H-thieno[2,3-d]pyrimidin-2-yl)phenyl]-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

COC(=O)C1CCC2C(C1)NC(NC2=O)CC3=CC=C(C=C3)O

DOS

IR

Vibrations