Geometry & MOs

Info

ID:

219915

PubChem CID:

85165038

Reduced:

NO8C35H53 (1)

Stoich.:

AB8C35D53 (1)

Weight, g/mol:

615.301615

ΔHf, kcal/mol:

-418.43

Dipole, Da:

5.14

IP(EA), eV:

 -9.8(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-7-(3-phenylmethoxyphenyl)-3a,4,5,7a-tetrahydro-1,3-benzodioxol-5-yl]carbamate

Drug info:

PubChemData

Smile

CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C(=O)O)O)C)C(=O)NC(CCC(=O)O)C(=O)O

DOS

IR

Vibrations