Geometry & MOs

Info

ID:

419369

PubChem CID:

135108051

Reduced:

SN6C17H20 (1)

Stoich.:

AB6C17D20 (1)

Weight, g/mol:

659.324976

ΔHf, kcal/mol:

89.59

Dipole, Da:

4.22

IP(EA), eV:

 -8.84(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,5S,8S)-14-[(5-chloro-2-fluorophenyl)methyl]-5-[(4-methoxyphenyl)methyl]-7,8-dimethyl-2-(2-methylpropyl)-1,4,7,10,14-pentazacyclooctadecane-3,6,9,18-tetrone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CSC2=NC(=CC(=N2)NCCN3C=CC=N3)N

DOS

IR

Vibrations