Geometry & MOs

Info

ID:

229105

PubChem CID:

87566958

Reduced:

Si2N5O6C52H59 (1)

Stoich.:

A2B5C6D52E59 (1)

Weight, g/mol:

486.21009

ΔHf, kcal/mol:

-120.63

Dipole, Da:

6.63

IP(EA), eV:

 -7.74(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-[4-[(Z)-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene]methyl]triazol-1-yl]butanoate

Drug info:

PubChemData

Smile

CC(C)([C@H](CNCC1=CC=C(C=C1)C(=O)NCCN2CC[C@H](C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C(=O)N)C5=C6C=CC(=O)NC6=C(C=C5)OCC7=CC=CC=C7)C(O[Si]C)O[Si]C

DOS

IR

Vibrations