Geometry & MOs

Info

ID:

320013

PubChem CID:

126657869

Reduced:

ON2C11H20 (2)

Stoich.:

AB2C11D20 (2)

Weight, g/mol:

685.528139

ΔHf, kcal/mol:

-109.92

Dipole, Da:

3.58

IP(EA), eV:

 -8.9(-0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxypropyl]-3-methyl-3-[3-methyl-3-(2-oxoethoxy)butoxy]butanamide

Drug info:

PubChemData

Smile

CCCN1C[C@H](C[C@H]2[C@H]1CC(=C)C(=O)C2)NC(=O)N(CCN(C)C)CC(C)C

DOS

IR

Vibrations