Geometry & MOs

Info

ID:

297717

PubChem CID:

117626720

Reduced:

SN6O16C58H94 (1)

Stoich.:

AB6C16D58E94 (1)

Weight, g/mol:

302.136553

ΔHf, kcal/mol:

-789.3

Dipole, Da:

7.71

IP(EA), eV:

 -8.56(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methyl acetate

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N(COC(=O)CC(C)C)[C@H](C[C@H](C1NC(=CS1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C[C@H](C)C(=O)OCCCNC(=O)CCCC(=O)OCC(OC)OC(CC)CO)OC(=O)C)C(C)C)NC(=O)[C@H]3CCCCN3C

DOS

IR

Vibrations