Geometry & MOs

Info

ID:	148823
PubChem CID:	53788492
Reduced:	OCl3C9H11 (1)
Stoich.:	AB3C9D11 (1)
Weight, g/mol:	281.108565
ΔH_f, kcal/mol:	-54.47
Dipole, Da:	4.23
IP(EA), eV:	-9.96(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-amino-3-benzylsulfanylpropanoyl] butanoate

Drug info:

PubChemData

Smile

CC1(C(C1(C)C(=O)Cl)C=C(Cl)Cl)C

DOS

IR

Vibrations