Geometry & MOs

Info

ID:	185912
PubChem CID:	77368620
Reduced:	SN2F3O4C33H39 (1)
Stoich.:	AB2C3D4E33F39 (1)
Weight, g/mol:	768.414247
ΔH_f, kcal/mol:	-284.02
Dipole, Da:	7.85
IP(EA), eV:	-8.53(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[tert-butyl(diphenyl)silyl]oxy-4-[3-[tert-butyl(diphenyl)silyl]oxyoct-1-enyl]-2-oxo-1,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrole-6a-carbonitrile

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(C)CC(C(C1=CC=CC=C1)C(F)(F)F)(C(=O)NC(CC2=CC=C(C=C2)OC)C(=O)NC)SCC3=CC=C(C=C3)OC

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(C)CC(C(C1=CC=CC=C1)C(F)(F)F)(C(=O)NC(CC2=CC=C(C=C2)OC)C(=O)NC)SCC3=CC=C(C=C3)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):