Geometry & MOs

Info

ID:

89841

PubChem CID:

49964979

Reduced:

BrNO4H18C23 (1)

Stoich.:

ABC4D18E23 (1)

Weight, g/mol:

383.091532

ΔHf, kcal/mol:

-67.68

Dipole, Da:

1.95

IP(EA), eV:

 -8.85(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(7R)-14-ethyl-13-methyl-12-(trifluoromethyl)-17-thia-3,9,15-triazatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),11,13,15-tetraene-2,8-dione

Drug info:

PubChemData

Smile

C1[C@H]2[C@@H]3[C@@H]([C@H]4C=CC5=CC=CC=C5N4[C@@H]3C(=O)C6=CC=C(C=C6)Br)C(=O)[C@@H](O1)O2

DOS

IR

Vibrations