Geometry & MOs

Info

ID:

15979

PubChem CID:

457079

Reduced:

N5O16C45H53 (1)

Stoich.:

A5B16C45D53 (1)

Weight, g/mol:

919.348731

ΔHf, kcal/mol:

-359.23

Dipole, Da:

26.39

IP(EA), eV:

 -7.89(-3.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(7S,11S,12R,13S,14R,15R,16R,17S,18S)-13-acetyloxy-26-[[2-[4-(dihydroxyamino)-2-[hydroxy(oxo)azaniumyl]phenyl]-2-methylhydrazinyl]methylidene]-15,17-dihydroxy-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),2,4,9,19,21,24-heptaen-2-olate

Drug info:

PubChemData

Smile

C[C@H]1C=CC=C(C(=O)N=C2C(=CNN(C)C3=C(C=C(C=C3)N(O)O)[N+](=O)O)C(=O)C4=C(C2=O)C(=C(C5=C4C(=O)[C@](O5)(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-])C

DOS

IR

Vibrations