Geometry & MOs

Info

ID:

388944

PubChem CID:

134990691

Reduced:

NO13C34H43 (1)

Stoich.:

AB13C34D43 (1)

Weight, g/mol:

474.228535

ΔHf, kcal/mol:

-528.11

Dipole, Da:

5.45

IP(EA), eV:

 -8.98(-1.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2,3-dihydro-1H-inden-2-yl-[(2S)-2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propyl]amino]acetic acid;hydrochloride

Drug info:

PubChemData

Smile

CCCCC(=O)OCC([C@]1(C[C@@H](C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)OC5CC(C(C(O5)C)O)N)O)(OC)OC

DOS

IR

Vibrations