Geometry & MOs

Info

ID:

185982

PubChem CID:

77374787

Reduced:

ClSiN4O6C44H70 (1)

Stoich.:

ABC4D6E44F70 (1)

Weight, g/mol:

466.246772

ΔHf, kcal/mol:

-328.5

Dipole, Da:

4.97

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.754772

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[1-[2-(dimethylcarbamoyl)-5-[(5-oxooxolan-3-yl)methyl]phenyl]-2-phenylethyl]carbamate

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)N1CCC(CC1)NCCOC)NC(=O)C(CC2=CC(=CC=C2)Cl)CC(C(C(C3=CC=CC=C3)O[Si](C)C)NC(=O)OC(C)(C)C)C(C)(C)C

DOS

IR

Vibrations