Geometry & MOs

Info

ID:

415985

PubChem CID:

135088990

Reduced:

SN2O5C15H22 (1)

Stoich.:

AB2C5D15E22 (1)

Weight, g/mol:

673.327562

ΔHf, kcal/mol:

-200.13

Dipole, Da:

5.22

IP(EA), eV:

 -9.57(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,7S,10R)-4-benzyl-17-(3-fluoro-4-hydroxybenzoyl)-10-methyl-7-(2-methylpropyl)-3,6,9,12,17-pentazabicyclo[17.2.2]tricosa-1(21),19,22-triene-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)O)C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations