Geometry & MOs

Info

ID:

415182

PubChem CID:

135088173

Reduced:

SN2O4C20H30 (1)

Stoich.:

AB2C4D20E30 (1)

Weight, g/mol:

519.248169

ΔHf, kcal/mol:

-171.18

Dipole, Da:

3.2

IP(EA), eV:

 -9.13(0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,29S)-8,21-dimethoxy-11,19-dioxa-3,14,15,16,27-pentazahexacyclo[25.4.1.114,17.03,29.05,10.020,25]tritriaconta-5(10),6,8,15,17(33),20(25),21,23-octaen-4-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N(CC(=O)N2CCC[C@@]3(C2)CCC[C@H]3OC)S(=O)(=O)C

DOS

IR

Vibrations