Geometry & MOs

Info

ID:

190451

PubChem CID:

78007884

Reduced:

N3O4C21H31 (1)

Stoich.:

A3B4C21D31 (1)

Weight, g/mol:

634.408083

ΔHf, kcal/mol:

-170.91

Dipole, Da:

3.37

IP(EA), eV:

 -9.17(0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[8-(1,2-dihydroxy-2-methylpropyl)-11-hydroxy-4,6,12,17,17-pentamethyl-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-5(10)-en-18-yl]oxy]-5-methoxyoxane-3,4-diol

Drug info:

PubChemData

Smile

CC(C)C(=O)NCC1=NC(=CN1C(CO)C(C(C)O)O)CCC2=CC=CC=C2

DOS

IR

Vibrations