Geometry & MOs

Info

ID:

17263

PubChem CID:

490649

Reduced:

N5O13C43H55 (1)

Stoich.:

A5B13C43D55 (1)

Weight, g/mol:

849.379637

ΔHf, kcal/mol:

-469.88

Dipole, Da:

7.4

IP(EA), eV:

 -9.09(-2.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(7S,11S,12R,13S,14R,15R,16R,17S,18S)-26-[4-(carbamoylhydrazinylidene)piperidin-1-yl]-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaen-13-yl] acetate

Drug info:

PubChemData

Smile

C[C@H]1C=CC=C(C(=O)NC2=C(C(=O)C3=C(C2=O)C(=C(C4=C3C(=O)[C@](O4)(OC=C[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)N5CCC(=NNC(=O)N)CC5)C

DOS

IR

Vibrations