Geometry & MOs

Info

ID:

176700

PubChem CID:

76083967

Reduced:

S2N4O7C21H26 (1)

Stoich.:

A2B4C7D21E26 (1)

Weight, g/mol:

724.39537

ΔHf, kcal/mol:

-198.98

Dipole, Da:

3.25

IP(EA), eV:

 -8.83(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[8-[3-acetyloxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-1,5,7,9,11,13-hexamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-9-yl]oxy]prop-1-enylboronic acid

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)C2=CC3=C(S2)C(C(N(C3)S(=O)(=O)C4=CC=C(C=C4)OC)C(=O)NO)O

DOS

IR

Vibrations