Geometry & MOs

Info

ID:

386066

PubChem CID:

134980679

Reduced:

SN2O11C37H46 (1)

Stoich.:

AB2C11D37E46 (1)

Weight, g/mol:

290.260966

ΔHf, kcal/mol:

-451.23

Dipole, Da:

6.75

IP(EA), eV:

 -9.51(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,4aR,8aR)-1,4a-dimethyl-6-methylidene-5-[(E)-3-methylpent-3-enyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methanol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCCOC(=O)[C@H](CCCC[C@@H](C(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)NC(=O)OC(C)(C)C

DOS

IR

Vibrations