Geometry & MOs

Info

ID:	85016
PubChem CID:	49871313
Reduced:	O4C23H34 (1)
Stoich.:	A4B23C34 (1)
Weight, g/mol:	350.184172
ΔH_f, kcal/mol:	-205.14
Dipole, Da:	3.51
IP(EA), eV:	-8.44(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(3S)-2-oxo-1-pent-4-enoylazetidin-3-yl]-N-pent-4-enoylcarbamate

Drug info:

PubChemData

Smile

CCCCCC1=CC(=C2C(=C1)OC(C3=C2[C@H]([C@@](CC3)(C)O)OCC)(C)C)O

DOS

IR

Vibrations