Geometry & MOs

Info

ID:

80795

PubChem CID:

49841130

Reduced:

SO2N5C25H27 (1)

Stoich.:

AB2C5D25E27 (1)

Weight, g/mol:

432.305972

ΔHf, kcal/mol:

16.32

Dipole, Da:

5.16

IP(EA), eV:

 -9.34(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E)-2-[(2Z,4aS,8aS)-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-oxobutylidene]-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-ylidene]acetaldehyde

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1CCN(C2)CCC(=O)N)C3=NN=C(S3)C4=CC(=C(C=C4)OC(C)C)C#N

DOS

IR

Vibrations