Geometry & MOs

Info

ID:	381814
PubChem CID:	134972648
Reduced:	NSiO7C38H47 (1)
Stoich.:	ABC7D38E47 (1)
Weight, g/mol:	503.270315
ΔH_f, kcal/mol:	-250.06
Dipole, Da:	2.78
IP(EA), eV:	-8.33(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[(2R,3S)-5-[(4-methoxyphenyl)methoxy]-2-methyl-3-[(4-nitrophenyl)methoxy]pentoxy]-dimethylsilane

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

CC1=C(C=C(C2=C1OCO2)[C@H](CO)N[C@@H](COCOC)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)OCC5=CC=CC=C5

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

CC1=C(C=C(C2=C1OCO2)[C@H](CO)N[C@@H](COCOC)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)OCC5=CC=CC=C5

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):