Geometry & MOs

Info

ID:	85852
PubChem CID:	49879737
Reduced:	BrN4H13C20 (1)
Stoich.:	AB4C13D20 (1)
Weight, g/mol:	463.156577
ΔH_f, kcal/mol:	156.04
Dipole, Da:	3.2
IP(EA), eV:	-8.91(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2E)-7-methyl-3-oxo-5-(2-propan-2-yloxyphenyl)-2-(pyridin-4-ylmethylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)NC(=N2)/C(=C\C3=CC=CN3C4=CC=C(C=C4)Br)/C#N

DOS

IR

Vibrations