Geometry & MOs

Info

ID:

219273

PubChem CID:

85098342

Reduced:

S2N6O7C31H38 (1)

Stoich.:

A2B6C7D31E38 (1)

Weight, g/mol:

670.440446

ΔHf, kcal/mol:

-186.73

Dipole, Da:

11.36

IP(EA), eV:

 -9.02(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-(dimethylamino)-2-[(3-ethyl-2,7-dihydroxy-2,6,8,10,16,19-hexamethyl-13-methylidene-5-oxo-4,11,15-trioxa-17-azabicyclo[8.5.5]icosan-9-yl)oxy]-6-methyloxan-3-yl] acetate

Drug info:

PubChemData

Smile

CC(=O)C(CC1=CC=CC=C1)NC2=NS(=O)(=O)N=C2NC3=CC=C(C=C3)CC(C)(C)NCC(C4=CC(=C(C=C4)O)NS(=O)(=O)C)O

DOS

IR

Vibrations