Geometry & MOs

Info

ID:

144563

PubChem CID:

53386327

Reduced:

N11O19C40H65 (1)

Stoich.:

A11B19C40D65 (1)

Weight, g/mol:

420.23006

ΔHf, kcal/mol:

-915.57

Dipole, Da:

13.26

IP(EA), eV:

 -10.15(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4'aR,6'aS,11'aS,11'bR)-3',4'a,6,7,7',11'a-hexamethylspiro[3H-furo[3,2-c]pyran-2,4'-5,6,6a,11b-tetrahydro-1H-cyclohepta[a]naphthalene]-4,9'-dione

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)N)N

DOS

IR

Vibrations