Geometry & MOs

Info

ID:	150965
PubChem CID:	53790662
Reduced:	O3C11H14 (1)
Stoich.:	A3B11C14 (1)
Weight, g/mol:	656.138224
ΔH_f, kcal/mol:	-136.37
Dipole, Da:	6.79
IP(EA), eV:	-9.54(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-nitrophenyl)methyl 2-[(2S)-2-(3-hydroxy-2-oxobutanoyl)sulfanyl-4-oxoazetidin-1-yl]-2-(triphenyl-lambda5-phosphanylidene)acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C(CC(=O)O)O

DOS

IR

Vibrations