Geometry & MOs

Info

ID:	218364
PubChem CID:	85089232
Reduced:	SN4O4C23H24 (1)
Stoich.:	AB4C4D23E24 (1)
Weight, g/mol:	452.231122
ΔH_f, kcal/mol:	-61.47
Dipole, Da:	6.07
IP(EA), eV:	-8.44(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN(C(=O)C2=C1SC(=C2C(=O)N3CC(CO3)(C)O)CC4=CNC5=CC=CC=C54)C

DOS

IR

Vibrations