Geometry & MOs

Info

ID:

304445

PubChem CID:

124597640

Reduced:

BrSN2O5H29C32 (1)

Stoich.:

ABC2D5E29F32 (1)

Weight, g/mol:

753.99185

ΔHf, kcal/mol:

-74.22

Dipole, Da:

3.64

IP(EA), eV:

 -8.3(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (2Z,5R)-2-[[3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-5-(4-chlorophenyl)-3-oxo-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1Br)/C=C\2/C(=O)N3[C@H](C4=C(C5=CC=CC=C5CC4)N=C3S2)C6=CC(=C(C=C6)OC)OC)OC

DOS

IR

Vibrations