Geometry & MOs

Info

ID:	440152
PubChem CID:	135230053
Reduced:	Cl2N3O4C25H29 (1)
Stoich.:	A2B3C4D25E29 (1)
Weight, g/mol:	336.150764
ΔH_f, kcal/mol:	-163.26
Dipole, Da:	4.27
IP(EA), eV:	-8.85(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[1-(2-aminoethyl)cyclopentanecarbonyl]amino]-3-(4-sulfanylphenyl)propanoic acid

Drug info:

PubChemData

Smile

C1CCC(C1)(CCN)C(=O)N[C@@H](CCC2=CC=C(C=C2)NC(=O)C3=C(C=CC=C3Cl)Cl)C(=O)O

DOS

IR

Vibrations