Geometry & MOs

Info

ID:

59349

PubChem CID:

24824097

Reduced:

ClN4O19C77H77 (1)

Stoich.:

AB4C19D77E77 (1)

Weight, g/mol:

336.149222

ΔHf, kcal/mol:

-575.79

Dipole, Da:

8.07

IP(EA), eV:

 -8.79(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3R,5Z,8R)-3-chloro-2-[(4-methoxyphenyl)methoxymethyl]-8-[(E)-prop-1-enyl]-3,4,7,8-tetrahydro-2H-oxocine

Drug info:

PubChemData

Smile

CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)OC(=O)CCC(=O)NCC7=CC=C(C=C7)NC(=O)CC8=C(N(C9=C8C=C(C=C9)OC)C(=O)C1=CC=C(C=C1)Cl)C)O)OC(=O)C1=CC=CC=C1)(CO4)OCC=O)O)C)OCC=O

DOS

IR

Vibrations