Geometry & MOs

Info

ID:

323102

PubChem CID:

126672472

Reduced:

O2N3C20H21 (1)

Stoich.:

A2B3C20D21 (1)

Weight, g/mol:

892.454382

ΔHf, kcal/mol:

10.4

Dipole, Da:

3.75

IP(EA), eV:

 -8.74(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3S,6R)-6-[[(1S,2R,8R,10S,12S,13R,17R,18S,22S)-22-ethyl-5,17-dimethyl-16,24-dioxo-10-[(2R,4R,5S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-23-oxa-6-thia-4-azapentacyclo[13.10.0.02,13.03,7.08,12]pentacosa-3(7),4,14-trien-18-yl]oxy]-2-methyloxan-3-yl]-N-methylbenzamide

Drug info:

PubChemData

Smile

CN1C=NC(=C1C2=CC=C(C=C2)C3CC3)C4=NC=CC(=C4)C(O)OC

DOS

IR

Vibrations