Geometry & MOs

Info

ID:

404637

PubChem CID:

135068184

Reduced:

FON2H23C26 (1)

Stoich.:

ABC2D23E26 (1)

Weight, g/mol:

618.13992

ΔHf, kcal/mol:

-11.13

Dipole, Da:

1.31

IP(EA), eV:

 -8.68(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

dipropan-2-yl (1R,9S,12R)-6-bromo-14-(4-methylphenyl)sulfonyl-8,14-diazatetracyclo[7.7.0.01,12.02,7]hexadeca-2(7),3,5-triene-10,10-dicarboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C)C(C2=CC=CC=C2C(=O)NC3=CC=CC4=C3N=CC=C4)F

DOS

IR

Vibrations