Geometry & MOs

Info

ID:

84320

PubChem CID:

49865751

Reduced:

N4O4H34C39 (1)

Stoich.:

A4B4C34D39 (1)

Weight, g/mol:

537.226371

ΔHf, kcal/mol:

-18.45

Dipole, Da:

5.5

IP(EA), eV:

 -8.75(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)C2=NC(=C3C(=C2)C4=CC=CC=C4N3)CCN[C@@H](CC5=CNC6=CC=CC=C65)C(=O)OCC7=CC=CC=C7

DOS

IR

Vibrations