Geometry & MOs

Info

ID:	382946
PubChem CID:	134974392
Reduced:	ClNOH14C20 (1)
Stoich.:	ABCD14E20 (1)
Weight, g/mol:	224.074525
ΔH_f, kcal/mol:	23.8
Dipole, Da:	4.26
IP(EA), eV:	-8.78(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1R,2R)-1-carboxy-2-phenylsulfanylcyclobutyl]azanium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C3=CC=CC=C3C4=C(C2=O)C(=CC=C4)Cl

DOS

IR

Vibrations