Geometry & MOs

Info

ID:

220162

PubChem CID:

85165312

Reduced:

N3S3O5C33H47 (1)

Stoich.:

A3B3C5D33E47 (1)

Weight, g/mol:

662.439793

ΔHf, kcal/mol:

-172.04

Dipole, Da:

8.19

IP(EA), eV:

 -8.79(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[tert-butyl(dimethyl)silyl]oxy-7-[2,6-dimethyl-8-(2-methylbutanoyloxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-5-triethylsilyloxyhept-5-enoate

Drug info:

PubChemData

Smile

CC(=CCCC(=CCCC(=CCSCSCC(C(=O)O)NC(=O)CNS(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C)C)C)C

DOS

IR

Vibrations