Geometry & MOs

Info

ID:

397736

PubChem CID:

135030647

Reduced:

SO2N3C21H25 (1)

Stoich.:

AB2C3D21E25 (1)

Weight, g/mol:

537.13621

ΔHf, kcal/mol:

2.19

Dipole, Da:

1.1

IP(EA), eV:

 -7.86(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (2S,4Z)-4-[(2R)-5-[(2S,3R)-3-(bromomethyl)oxiran-2-yl]-1-hydroxy-2-methylpentylidene]-2-[(4-hydroxyphenyl)methyl]-3,5-dioxopyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CCN(CC2)CCCSC3=NC4=CC=CC=C4O3

DOS

IR

Vibrations