Geometry & MOs

Info

ID:

135758

PubChem CID:

51929328

Reduced:

SO3N5C18H22 (1)

Stoich.:

AB3C5D18E22 (1)

Weight, g/mol:

390.148752

ΔHf, kcal/mol:

35.41

Dipole, Da:

3.24

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.828040

Charge, e:

 1

Chem-info

IUPAC name:

[(1S)-2-amino-2-oxo-1-phenylethyl]-[(2-morpholin-4-ylsulfonylphenyl)methyl]azanium

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OCC2=NOC(=N2)C[NH+]3CCN(CC3)C4=NC=CS4

DOS

IR

Vibrations