Geometry & MOs

Info

ID:

182952

PubChem CID:

76962186

Reduced:

O5N6C36H52 (1)

Stoich.:

A5B6C36D52 (1)

Weight, g/mol:

936.082714

ΔHf, kcal/mol:

-230.21

Dipole, Da:

5.11

IP(EA), eV:

 -9.13(0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-1-(prop-2-enyldisulfanyl)-3-[(S)-prop-2-enylsulfinyl]prop-1-ene;(E)-1-(prop-2-enyldisulfanyl)-3-[(S)-prop-2-enylsulfinyl]prop-1-ene;(Z)-1-(prop-2-enyldisulfanyl)-3-[(R)-prop-2-enylsulfinyl]prop-1-ene;(E)-1-(prop-2-enyldisulfanyl)-3-[(R)-prop-2-enylsulfinyl]prop-1-ene

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C[C@@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@@H](C(C)C)N3CCCNC3=O)O)N4CCCNC4=O

DOS

IR

Vibrations