Geometry & MOs

Info

ID:	85022
PubChem CID:	49871349
Reduced:	NO7C18H27 (1)
Stoich.:	AB7C18D27 (1)
Weight, g/mol:	250.131742
ΔH_f, kcal/mol:	-287.34
Dipole, Da:	2.07
IP(EA), eV:	-9.84(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-2-oxo-1-pent-4-enoylazetidin-3-yl]pent-4-enamide

Drug info:

PubChemData

Smile

CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)[C@H]([C@H](CC=C)C(=O)OC)NC(=O)C=C)OC)C

DOS

IR

Vibrations