Geometry & MOs

Info

ID:	224477
PubChem CID:	85343701
Reduced:	SiO3C17H26 (2)
Stoich.:	AB3C17D26 (2)
Weight, g/mol:	616.1209
ΔH_f, kcal/mol:	-290.39
Dipole, Da:	4.86
IP(EA), eV:	-8.52(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-benzyl-5-[(2-bromo-4-methoxy-3-methyl-5-propan-2-yloxyphenyl)methylidene]-17-methyl-2,13,15-trioxa-4,7-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),3,8,10,12(16)-pentaen-6-one

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(=O)C1(CC=CC(C1)O[Si](C)(C)C#CCC2=C(C=CC=C2OC)C(C#COC(C)(C)C)OC)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(=O)C1(CC=CC(C1)O[Si](C)(C)C#CCC2=C(C=CC=C2OC)C(C#COC(C)(C)C)OC)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):