Geometry & MOs

Info

ID:	382947
PubChem CID:	134974393
Reduced:	NSO2C11H14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	223.0667
ΔH_f, kcal/mol:	-32.19
Dipole, Da:	5.25
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754238
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-1-amino-2-phenylsulfanylcyclobutane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1C[C@]([C@@H]1SC2=CC=CC=C2)(C(=O)O)[NH3+]

DOS

IR

Vibrations