Geometry & MOs

Info

ID:	172723
PubChem CID:	75544613
Reduced:	BrS2N3O4C19H20 (1)
Stoich.:	AB2C3D4E19F20 (1)
Weight, g/mol:	429.01803
ΔH_f, kcal/mol:	-111.0
Dipole, Da:	3.63
IP(EA), eV:	-8.72(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-N-cyclopentyl-5-oxo-1-sulfanylidene-5a,6,7,8,9,9a-hexahydro-4H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)NC(=O)C2=C3NC(=O)C4CC(CCC4N3C(=S)S2)Br

DOS

IR

Vibrations