Geometry & MOs

Info

ID:	169232
PubChem CID:	75076997
Reduced:	PCl2N4O4C23H35 (1)
Stoich.:	AB2C4D4E23F35 (1)
Weight, g/mol:	382.073576
ΔH_f, kcal/mol:	-164.21
Dipole, Da:	5.48
IP(EA), eV:	-8.44(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)oxymethyl]thiophen-2-yl]benzonitrile

Drug info:

PubChemData

Smile

CN1CCC23C=CC(CC2OC4=C(C=CC(=C34)C1)OC)OP(=O)(NCCN)N(CCCl)CCCl

DOS

IR

Vibrations