Geometry & MOs

Info

ID:	146104
PubChem CID:	53635666
Reduced:	NO3C8H13 (1)
Stoich.:	AB3C8D13 (1)
Weight, g/mol:	626.292447
ΔH_f, kcal/mol:	-133.48
Dipole, Da:	3.1
IP(EA), eV:	-11.03(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl N-[N'-[3-[(3R,4R)-1-[tert-butyl(dimethyl)silyl]-2-oxo-4-(2-phenylethenyl)azetidin-3-yl]propyl]-N-phenoxycarbonylcarbamimidoyl]carbamate

Drug info:

PubChemData

Smile

CC(C)OC(=O)C[C@@H](CC#N)O

DOS

IR

Vibrations