Geometry & MOs

Info

ID:

169116

PubChem CID:

75067067

Reduced:

Si3N6O6C36H62 (1)

Stoich.:

A3B6C6D36E62 (1)

Weight, g/mol:

872.352025

ΔHf, kcal/mol:

-301.95

Dipole, Da:

4.57

IP(EA), eV:

 -8.77(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[[7-[1,6-dihydroxy-8-[[[3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]amino]methylidene]-3-methyl-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3,8-dihydroxy-6-methyl-2-oxo-4-propan-2-ylnaphthalen-1-ylidene]methylamino]-3-(4-hydroxyphenyl)propanoate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OCC1C(C(C(O1)N2C=NC3=C2N=C(N=C3ON4C=CC=CC4=O)NC5CC5)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations