Geometry & MOs

Info

ID:

437175

PubChem CID:

135215478

Reduced:

S2F3O3N5C16H16 (1)

Stoich.:

A2B3C3D5E16F16 (1)

Weight, g/mol:

801.495983

ΔHf, kcal/mol:

-164.36

Dipole, Da:

6.0

IP(EA), eV:

 -9.45(-1.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[(1R,2R,5R,10S,11R,14S,19S,20R)-20-[[(4-chlorophenyl)methyl-[2-(dimethylamino)ethyl]amino]methyl]-20-hydroxy-1,2,6,6,10-pentamethyl-17-oxo-16-propan-2-yl-7-pentacyclo[12.9.0.02,11.05,10.015,19]tricosa-7,15-dienyl]triazol-1-yl]acetic acid

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)S(=O)(=O)NC(CF)C3CC3)N(C1=O)C4=NN=C(S4)C(F)F

DOS

IR

Vibrations