Geometry & MOs

Info

ID:	16226
PubChem CID:	462193
Reduced:	BrOSN2H19C20 (1)
Stoich.:	ABCD2E19F20 (1)
Weight, g/mol:	414.04015
ΔH_f, kcal/mol:	21.93
Dipole, Da:	7.71
IP(EA), eV:	-9.17(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(bromomethyl)-6-ethyl-5-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CCC1=C(N2C(CSC2=NC1=O)CBr)CC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations