Geometry & MOs

Info

ID:	54633
PubChem CID:	17389016
Reduced:	BrN2O2H17C22 (1)
Stoich.:	AB2C2D17E22 (1)
Weight, g/mol:	454.119858
ΔH_f, kcal/mol:	33.4
Dipole, Da:	4.58
IP(EA), eV:	-9.28(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)/C=C\NNC(=O)C3=CC(=CC=C3)Br

DOS

IR

Vibrations