Geometry & MOs

Info

ID:	149879
PubChem CID:	53789559
Reduced:	NO2H13C16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	623.207289
ΔH_f, kcal/mol:	-17.89
Dipole, Da:	4.38
IP(EA), eV:	-9.54(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S,3S)-3-(1-acetyloxyethyl)-4-oxo-1-[2-oxo-2-phenylmethoxy-1-(triphenyl-lambda5-phosphanylidene)ethyl]azetidin-2-yl]acetic acid

Drug info:

PubChemData

Smile

C1CC(=CC2=CC=NC=C2)C(=O)C3=C1C=C(C=C3)O

DOS

IR

Vibrations