Geometry & MOs

Info

ID:	329221
PubChem CID:	126732441
Reduced:	OPC4H7 (1)
Stoich.:	ABC4D7 (1)
Weight, g/mol:	495.0286
ΔH_f, kcal/mol:	-15.46
Dipole, Da:	0.89
IP(EA), eV:	-9.34(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,6R)-1-(4-bromo-1,3-thiazol-2-yl)-8-(1-methoxypropan-2-yloxy)-4-thia-2-azabicyclo[4.2.0]oct-2-en-3-yl]benzamide

Drug info:

PubChemData

Smile

C=CC(=C)OP

DOS

IR

Vibrations