Geometry & MOs

Info

ID:

409523

PubChem CID:

135082305

Reduced:

PC10H17 (1)

Stoich.:

AB10C17 (1)

Weight, g/mol:

728.177288

ΔHf, kcal/mol:

27.8

Dipole, Da:

2.29

IP(EA), eV:

 -7.75(2.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3S,10R,15S,16E,20S,22S,25R)-7-chloro-15,25-dihydroxy-12-oxo-4,13,21-trioxa-8-azapentacyclo[14.6.2.13,22.15,9.020,22]hexacosa-1,5(26),6,8,16-pentaen-18,23-diyn-10-yl]-3-hydroxy-7,8-dimethoxy-6-propan-2-yloxynaphthalene-2-carboxamide

Drug info:

PubChemData

Smile

CP1([C@H]2[C@H]3[C@H]4[C@@H]1C2CC34)(C)C

DOS

IR

Vibrations