Geometry & MOs

Info

ID:

84330

PubChem CID:

49865836

Reduced:

N3O6H35C39 (1)

Stoich.:

A3B6C35D39 (1)

Weight, g/mol:

573.237604

ΔHf, kcal/mol:

-121.5

Dipole, Da:

4.46

IP(EA), eV:

 -8.81(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 1-[2-[[(2S)-3-imidazol-1-yl-1-oxo-1-phenylmethoxypropan-2-yl]amino]ethyl]-9H-pyrido[3,4-b]indole-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)C[C@@H](C(=O)OCC2=CC=CC=C2)NCCC3=C4C(=CC(=N3)C(=O)OCC5=CC=CC=C5)C6=CC=CC=C6N4

DOS

IR

Vibrations