Geometry & MOs

Info

ID:

191312

PubChem CID:

78129186

Reduced:

SO2N5C10H11 (1)

Stoich.:

AB2C5D10E11 (1)

Weight, g/mol:

1188.647085

ΔHf, kcal/mol:

57.49

Dipole, Da:

6.2

IP(EA), eV:

-8.83(-1.38)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[2,15,17-trihydroxy-32-[4-[4-(2-imidazol-1-ylacetyl)piperazin-1-yl]butoxy]-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6-methylidene-30-[4-(2-methylpropyl)piperazin-1-yl]-23,37-dioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(36),2,4,9,19,21,28(33),29,31,34-decaen-13-yl] acetate

Drug info:

PubChemData

Smile

C1CSC2=C(C1=NN=C(N)N)C=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations