Geometry & MOs

Info

ID:	218051
PubChem CID:	85088794
Reduced:	SO3N6C20H24 (1)
Stoich.:	AB3C6D20E24 (1)
Weight, g/mol:	424.199822
ΔH_f, kcal/mol:	-39.39
Dipole, Da:	6.73
IP(EA), eV:	-8.62(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-ethyl-4-oxo-1-(1-phenylethylcarbamoyl)-3-propylazetidin-2-yl]oxybenzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN(CC(CO)O)C2NC(NC(=O)N2)NC3=CC4=C(C=C3)N=CS4

DOS

IR

Vibrations