Geometry & MOs

Info

ID:

392587

PubChem CID:

135017282

Reduced:

SN3O5C30H43 (1)

Stoich.:

AB3C5D30E43 (1)

Weight, g/mol:

559.307993

ΔHf, kcal/mol:

-207.31

Dipole, Da:

4.49

IP(EA), eV:

 -8.49(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 3-[2-[5-[(1R)-1-[[(R)-tert-butylsulfinyl]amino]ethyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-(2-ethoxy-2-oxoethyl)indole-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1[C@@H]2C(=CCCN2CCC3=C1N(C4=CC=CC=C34)C(=O)OC(C)(C)C)[C@@H](C)N[S@](=O)C(C)(C)C

DOS

IR

Vibrations