Geometry & MOs

Info

ID:	54266
PubChem CID:	16957267
Reduced:	BrSO2N3C15H16 (1)
Stoich.:	ABC2D3E15F16 (1)
Weight, g/mol:	423.125277
ΔH_f, kcal/mol:	-14.31
Dipole, Da:	5.8
IP(EA), eV:	-9.16(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NC(=O)/C(=C/C3=C(C=CC(=C3)Br)O)/S2

DOS

IR

Vibrations