Geometry & MOs

Info

ID:

49411

PubChem CID:

11532988

Reduced:

SiO7C25H34 (1)

Stoich.:

AB7C25D34 (1)

Weight, g/mol:

474.220181

ΔHf, kcal/mol:

-319.84

Dipole, Da:

2.12

IP(EA), eV:

 -8.9(0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4,4-dimethyl-8-morpholin-4-yl-N-(2-pyridin-2-ylethyl)-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-amine

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1C[C@@H]([C@H]([C@H]([C@]1(C2=C(OC=C2)[Si](C)(C)C)O)O)OC(=O)CC3=CC=CC=C3)C

DOS

IR

Vibrations