Geometry & MOs

Info

ID:	191212
PubChem CID:	78118193
Reduced:	N2O5C18H22 (1)
Stoich.:	A2B5C18D22 (1)
Weight, g/mol:	362.130028
ΔH_f, kcal/mol:	-161.19
Dipole, Da:	2.1
IP(EA), eV:	-9.56(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-oxo-1-(prop-2-enylcarbamothioyl)azetidin-3-yl]ethyl 2-phenylmethoxyacetate

Drug info:

PubChemData

Smile

CC(C1CN(C1=O)C(=O)NCC=C)OC(=O)COCC2=CC=CC=C2

DOS

IR

Vibrations