Geometry & MOs

Info

ID:

163896

PubChem CID:

74380654

Reduced:

SN2O7C32H42 (1)

Stoich.:

AB2C7D32E42 (1)

Weight, g/mol:

609.23151

ΔHf, kcal/mol:

-279.53

Dipole, Da:

3.2

IP(EA), eV:

 -9.47(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(cyclopropylmethyl)-16-(2-hydroxy-3,3-dimethylbutan-2-yl)-15-methoxy-5-methyl-13-oxa-5-azoniahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol;iodide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)O.C1CC2(CCC1CNC(=O)C(C3=CC=CC=C3)N)OC4(C5CC6CC(C5)CC4C6)OO2

DOS

IR

Vibrations