Geometry & MOs

Info

ID:

309479

PubChem CID:

126546538

Reduced:

SN6O9C58H66 (1)

Stoich.:

AB6C9D58E66 (1)

Weight, g/mol:

383.282429

ΔHf, kcal/mol:

-314.38

Dipole, Da:

5.16

IP(EA), eV:

 -8.42(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-6',11b-dimethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-ol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CCNC(=O)OC1=CC=C(C=C1)C[C@@H](C(=O)NC2=CC=CC=C2)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CSC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(NC6=CC=CC=C6)O

DOS

IR

Vibrations