Geometry & MOs

Info

ID:

230156

PubChem CID:

87570322

Reduced:

O16C95H98 (1)

Stoich.:

A16B95C98 (1)

Weight, g/mol:

142.05647

ΔHf, kcal/mol:

-378.0

Dipole, Da:

8.5

IP(EA), eV:

 -9.07(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-3-(ethylamino)-3-methylsulfanylprop-2-enenitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@@H]([C@H](O2)O[C@H]3[C@H](C([C@H]([C@@H](C3O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)COCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9)OCC1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1

DOS

IR

Vibrations