Geometry & MOs

Info

ID:

307373

PubChem CID:

125299714

Reduced:

N3O5H23C25 (1)

Stoich.:

A3B5C23D25 (1)

Weight, g/mol:

546.182458

ΔHf, kcal/mol:

-97.94

Dipole, Da:

4.29

IP(EA), eV:

 -8.74(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(4S)-4-ethyl-8-methyl-2-oxo-3,4-dihydrochromen-7-yl] (2S)-3-(2H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)[C@@H]1[C@H]2[C@@H]([C@H]3N1N=CC4=CC=CC=C34)C(=O)N(C2=O)C5=CC6=C(C=C5)OCO6

DOS

IR

Vibrations