Geometry & MOs

Info

ID:

168930

PubChem CID:

75041637

Reduced:

BrSO3N5H24C27 (1)

Stoich.:

ABC3D5E24F27 (1)

Weight, g/mol:

577.07832

ΔHf, kcal/mol:

19.02

Dipole, Da:

4.62

IP(EA), eV:

 -9.39(-1.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[[4-[4-(2-bromoethyl)triazol-1-yl]phenyl]methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3)C(=O)C(=CC4=CC(=CC=C4)N5C=C(N=N5)CCBr)S2)C

DOS

IR

Vibrations