Geometry & MOs

Info

ID:

49894

PubChem CID:

11534175

Reduced:

SO4N5C30H33 (1)

Stoich.:

AB4C5D30E33 (1)

Weight, g/mol:

559.223784

ΔHf, kcal/mol:

-53.45

Dipole, Da:

2.19

IP(EA), eV:

 -7.84(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,5S)-2-[[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]methyl]-5-[(1R)-1-hydroxyethyl]-4-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,2-oxazolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1COC2=C1C=CC=C2N3CCN(CC3)CCCCNC(=O)C4=CC5=C(N4S(=O)(=O)C6=CC=CC=C6)N=CC=C5

DOS

IR

Vibrations