Geometry & MOs

Info

ID:	339981
PubChem CID:	127261990
Reduced:	SO2N4C17H18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	237.100108
ΔH_f, kcal/mol:	-7.83
Dipole, Da:	6.7
IP(EA), eV:	-8.78(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(1R)-1-carboxyethyl]amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=S)N[C@@H](CC2=CC=C(C=C2)N=C(N)N)C(=O)O

DOS

IR

Vibrations