Geometry & MOs

Info

ID:	427526
PubChem CID:	135159600
Reduced:	BrSN2C25H33 (1)
Stoich.:	ABC2D25E33 (1)
Weight, g/mol:	362.104876
ΔH_f, kcal/mol:	54.73
Dipole, Da:	1.52
IP(EA), eV:	-9.12(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-(2-oxo-1,3-oxazolidin-3-yl)-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate

Drug info:

PubChemData

Smile

CCCCC/C(=C(/C(C1=CC=CC=C1Br)N=C(C)C2=NC=CS2)\C(=C)CCC)/C

DOS

IR

Vibrations