Geometry & MOs

Info

ID:	147214
PubChem CID:	53786868
Reduced:	O2N3H19C22 (1)
Stoich.:	A2B3C19D22 (1)
Weight, g/mol:	364.090665
ΔH_f, kcal/mol:	31.32
Dipole, Da:	6.84
IP(EA), eV:	-8.18(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-3-[1-[(4-nitrophenyl)methoxycarbonyloxy]propan-2-ylidene]-4-oxoazetidin-2-yl]acetic acid

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1C(=NC=N2)NC3=CC=C(C=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations