Geometry & MOs

Info

ID:

220145

PubChem CID:

85165293

Reduced:

S2N3O7C34H35 (1)

Stoich.:

A2B3C7D34E35 (1)

Weight, g/mol:

659.390053

ΔHf, kcal/mol:

-206.49

Dipole, Da:

4.82

IP(EA), eV:

 -8.75(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-ethyl-4-hydroxy-3,5,11-trimethyl-2-[3-methyl-6-(1-phenyltetrazol-5-yl)sulfanyl-2-triethylsilyloxyhexyl]-1-oxa-7-azaspiro[5.5]undecan-8-one

Drug info:

PubChemData

Smile

CCOC(=O)CN1C(=O)C2C(N(C1=O)CC3=CC=CC=C3SC)SC(=C2CNC(=O)C4=CC=CC=C4)C5=CC=C(C=C5)OCOC

DOS

IR

Vibrations