Geometry & MOs

Info

ID:

85583

PubChem CID:

49877262

Reduced:

ClNSO2C6H11 (1)

Stoich.:

ABCD2E6F11 (1)

Weight, g/mol:

242.094782

ΔHf, kcal/mol:

-75.69

Dipole, Da:

5.27

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750026

Charge, e:

 -1

Chem-info

IUPAC name:

propan-2-yl 3-amino-3-phenylpropanoate;chloride

Drug info:

PubChemData

Smile

CC1(NC(CS1)C(=O)O)C.[Cl-]

DOS

IR

Vibrations